Geometry & MOs

Info

ID:	67761
PubChem CID:	46507116
Reduced:	N2S2O5H26C27 (1)
Stoich.:	A2B2C5D26E27 (1)
Weight, g/mol:	534.1647
ΔH_f, kcal/mol:	-127.81
Dipole, Da:	4.79
IP(EA), eV:	-8.27(-0.58)
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]-(2,4,5-trimethylphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations