Geometry & MOs

Info

ID:	193640
PubChem CID:	78416663
Reduced:	N4O4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	481.111457
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	4.88
IP(EA), eV:	-9.23(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CNNC(=O)C2C=NC=NC2=O)C=CC1=O

DOS

IR

Vibrations