Geometry & MOs

Info

ID:	67764
PubChem CID:	46507121
Reduced:	N2S2O4H26C27 (1)
Stoich.:	A2B2C4D26E27 (1)
Weight, g/mol:	526.078777
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	9.55
IP(EA), eV:	-8.28(-0.68)
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-chlorophenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations