Geometry & MOs

Info

ID:	446858
PubChem CID:	135278275
Reduced:	ClO2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	1006.355769
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	3.51
IP(EA), eV:	-9.21(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[2-[4-[1-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]pyrazol-3-yl]phenyl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

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

C1=CC(=C(C=C1C#N)C(=O)O)NC2=C(C=C(C=C2)Cl)N

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

C1=CC(=C(C=C1C#N)C(=O)O)NC2=C(C=C(C=C2)Cl)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):