Geometry & MOs

Info

ID:	153747
PubChem CID:	56313058
Reduced:	BrSO2N4H15C18 (1)
Stoich.:	ABC2D4E15F18 (1)
Weight, g/mol:	454.113333
ΔH_f, kcal/mol:	4.72
Dipole, Da:	3.31
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations