Geometry & MOs

Info

ID:	394238
PubChem CID:	135022573
Reduced:	NSO2C23H25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	363.114044
ΔH_f, kcal/mol:	-22.01
Dipole, Da:	5.8
IP(EA), eV:	-8.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-ethyl-4-methyl-1-(4-methylphenyl)sulfonylpyrrol-2-yl] prop-2-enyl carbonate

Drug info:

PubChemData

Smile

CCC1=C(N(C(=C1C)CC=C)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations