Geometry & MOs

Info

ID:	240233
PubChem CID:	93576696
Reduced:	O2N3C28H31 (1)
Stoich.:	A2B3C28D31 (1)
Weight, g/mol:	457.218784
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	2.89
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)CC(C)C)C2=NC3=CC=CC=C3N2CC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations