Geometry & MOs

Info

ID:	302981
PubChem CID:	124489063
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	6.93
IP(EA), eV:	-8.73(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(=O)N[C@@H](C)C2=NC3=CC=CC=C3N2)OC

DOS

IR

Vibrations