Geometry & MOs

Info

ID:	432459
PubChem CID:	135172592
Reduced:	ClN3O3C11H14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	703.26738
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	1.88
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[2-[3-[3-[8-chloro-6-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-7-cyano-2,3-dihydro-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid

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

CCOC(=O)NC(=C)NC1=C(C=C(C=N1)CO)Cl

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

CCOC(=O)NC(=C)NC1=C(C=C(C=N1)CO)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):