Geometry & MOs

Info

ID:	67763
PubChem CID:	46507119
Reduced:	NSO2C14H14 (2)
Stoich.:	ABC2D14E14 (2)
Weight, g/mol:	506.1334
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	9.26
IP(EA), eV:	-8.26(-0.62)
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]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations