Geometry & MOs

Info

ID:	405632
PubChem CID:	135074738
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	1.23
IP(EA), eV:	-9.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5-(benzenesulfonyl)-5-pyridin-2-ylpent-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CC(C1=CC=CC=N1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations