Geometry & MOs

Info

ID:	174690
PubChem CID:	75806465
Reduced:	SO4N5C16H16 (1)
Stoich.:	AB4C5D16E16 (1)
Weight, g/mol:	396.05857
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	2.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.899904
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-bromo-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=NN=C(S1)N=C(CCC2C(=O)NC3=CC=CC=C3C(=O)N2)[O-]

DOS

IR

Vibrations