Geometry & MOs

Info

ID:

186358

PubChem CID:

77424542

Reduced:

FO2N5C25H34 (1)

Stoich.:

AB2C5D25E34 (1)

Weight, g/mol:

571.150158

ΔHf, kcal/mol:

-102.04

Dipole, Da:

2.55

IP(EA), eV:

 -9.12(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC(=C(C=C4)F)C)O

DOS

IR

Vibrations