Geometry & MOs

Info

ID:	67762
PubChem CID:	46507118
Reduced:	N2S2O4C29H30 (1)
Stoich.:	A2B2C4D29E30 (1)
Weight, g/mol:	520.14905
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	6.13
IP(EA), eV:	-8.2(-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]-(2,5-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)C2=C(SC(=C2N)C(=O)C3=C(C=C(C(=C3)C)C)C)NC4=CC=CC=C4OC)C

DOS

IR

Vibrations