Geometry & MOs

Info

ID:	59478
PubChem CID:	24875031
Reduced:	O4N6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	522.237939
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	9.47
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)NC(CC2=CC=C(C=C2)N3C=C(N=N3)CNC4=NOC=C4)C(=O)O)C

DOS

IR

Vibrations