Geometry & MOs

Info

ID:	67765
PubChem CID:	46507122
Reduced:	ClN2S2O4H23C26 (1)
Stoich.:	AB2C2D4E23F26 (1)
Weight, g/mol:	520.14905
ΔH_f, kcal/mol:	-90.25
Dipole, Da:	7.03
IP(EA), eV:	-8.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=C2N)C(=O)C3=CC=CC=C3Cl)NC4=CC=CC=C4OC

DOS

IR

Vibrations