Geometry & MOs

Info

ID:	301853
PubChem CID:	123098098
Reduced:	N2S2O5H22C23 (1)
Stoich.:	A2B2C5D22E23 (1)
Weight, g/mol:	441.081698
ΔH_f, kcal/mol:	-140.38
Dipole, Da:	4.96
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-anilino-2-oxoethyl)sulfinylacetyl]amino]-5-phenylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CS(=O)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations