Geometry & MOs

Info

ID:	336290
PubChem CID:	127255297
Reduced:	ClSO2N3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	3.69
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations