Geometry & MOs

Info

ID:	191474
PubChem CID:	78150154
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	9.35
IP(EA), eV:	-8.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CC3CC(C(C=C3C)CNC(=O)COCC(=O)O)C(C)C

DOS

IR

Vibrations