Geometry & MOs

Info

ID:	14121
PubChem CID:	404966
Reduced:	ClOSN4H21C25 (1)
Stoich.:	ABCD4E21F25 (1)
Weight, g/mol:	460.11246
ΔH_f, kcal/mol:	59.62
Dipole, Da:	5.18
IP(EA), eV:	-8.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-(4-chlorobenzoyl)-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carboximidothioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=NC4=CC=CC=C4)S

DOS

IR

Vibrations