Geometry & MOs

Info

ID:	59455
PubChem CID:	24874919
Reduced:	FO2N9H20C25 (1)
Stoich.:	AB2C9D20E25 (1)
Weight, g/mol:	522.237939
ΔH_f, kcal/mol:	78.73
Dipole, Da:	2.87
IP(EA), eV:	-9.01(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]pyrazol-1-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC(=N2)C3=CC=CC=C3)C(=O)C(=O)C4=CNC5=C4C(=CN=C5N6C=CN=N6)F

DOS

IR

Vibrations