Geometry & MOs

Info

ID:	14122
PubChem CID:	404967
Reduced:	SO2N4H22C25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	442.146347
ΔH_f, kcal/mol:	40.55
Dipole, Da:	2.02
IP(EA), eV:	-8.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=C(C(=C(N2)C(=O)C3=CC=CC=C3)N)C(=NC4=CC=CC=C4)S

DOS

IR

Vibrations