Geometry & MOs

Info

ID:	416230
PubChem CID:	135089240
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-153.87
Dipole, Da:	4.65
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4R)-2-(3H-benzimidazol-5-ylmethylcarbamoyl)-2-benzyl-7-azabicyclo[2.2.1]heptan-7-yl]acetic acid

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)C(=O)CCCN3C=NC4=CC=CC=C4C3=O)C(=O)O

DOS

IR

Vibrations