Geometry & MOs

Info

ID:	67757
PubChem CID:	46507106
Reduced:	OSN4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	520.14905
ΔH_f, kcal/mol:	67.61
Dipole, Da:	1.57
IP(EA), eV:	-8.77(-1.33)
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]-(2,4-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N4C2=NNC4=S

DOS

IR

Vibrations