Geometry & MOs

Info

ID:	434993
PubChem CID:	135176415
Reduced:	F2N3O3C25H25 (1)
Stoich.:	A2B3C3D25E25 (1)
Weight, g/mol:	727.336984
ΔH_f, kcal/mol:	-126.9
Dipole, Da:	2.28
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[7-cyano-2-[3-[3-[5-[4-[(3R)-3-hydroxycyclopentyl]butanoyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)C1=CN(N=C1)C2=C(C=C(C=C2)NC(=O)C3(CC3)C4=CC(=C(C=C4)F)F)C(=O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)C1=CN(N=C1)C2=C(C=C(C=C2)NC(=O)C3(CC3)C4=CC(=C(C=C4)F)F)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):