Geometry & MOs

Info

ID:	313476
PubChem CID:	126614918
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	469.03473
ΔH_f, kcal/mol:	-126.57
Dipole, Da:	3.34
IP(EA), eV:	-8.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-acetylsulfanyl-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)O)C)C=C(C(=O)OC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations