Geometry & MOs

Info

ID:	313490
PubChem CID:	126614996
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	469.075072
ΔH_f, kcal/mol:	-20.69
Dipole, Da:	9.41
IP(EA), eV:	-8.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-acetylsulfanyl-3-oxo-3-phenoxyprop-1-enyl)-2,5-dimethylpyrrol-1-yl]-4-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=CC(=C2C)/C=C/3\C(=O)N(C(=O)S3)C4=CC=CC=C4)C

DOS

IR

Vibrations