Geometry & MOs

Info

ID:	71817
PubChem CID:	48415501
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	405.162332
ΔH_f, kcal/mol:	0.0
Dipole, Da:	1.55
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations