Geometry & MOs

Info

ID:	328665
PubChem CID:	126726416
Reduced:	N3O4C29H31 (1)
Stoich.:	A3B4C29D31 (1)
Weight, g/mol:	457.200156
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	2.98
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(oxetan-3-yl)benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1=CC2=C(C=C1)N=C(N2C3CCOCC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)O

DOS

IR

Vibrations