Geometry & MOs

Info

ID:	141137
PubChem CID:	52822867
Reduced:	N3O3S3C19H29 (1)
Stoich.:	A3B3C3D19E29 (1)
Weight, g/mol:	444.086781
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	4.62
IP(EA), eV:	-8.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CS3)N4CCSCC4

DOS

IR

Vibrations