Geometry & MOs

Info

ID:	14123
PubChem CID:	404968
Reduced:	SO2N4H24C26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	456.161997
ΔH_f, kcal/mol:	31.43
Dipole, Da:	3.78
IP(EA), eV:	-8.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-methoxyanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carboximidothioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)OC)C(=NC4=CC=CC=C4)S)N

DOS

IR

Vibrations