Geometry & MOs

Info

ID:	67760
PubChem CID:	46507114
Reduced:	N2S2O5H24C27 (1)
Stoich.:	A2B2C5D24E27 (1)
Weight, g/mol:	522.128314
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	5.98
IP(EA), eV:	-8.45(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-4-(2,4-dimethylphenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC2=C(C(=C(S2)C(=O)C3=CC4=C(C=C3)OCO4)N)S(=O)(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations