Geometry & MOs

Info

ID:	313488
PubChem CID:	126614988
Reduced:	N2O4S4C21H24 (1)
Stoich.:	A2B4C4D21E24 (1)
Weight, g/mol:	437.139386
ΔH_f, kcal/mol:	-111.9
Dipole, Da:	4.82
IP(EA), eV:	-8.94(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 2-acetyloxy-3-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(C1=C(SC(=C1C)C)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CS3)/SC2=S)O

DOS

IR

Vibrations