Geometry & MOs

Info

ID:	387373
PubChem CID:	134985127
Reduced:	ClNPSO2C5H11 (1)
Stoich.:	ABCDE2F5G11 (1)
Weight, g/mol:	273.157623
ΔH_f, kcal/mol:	-131.19
Dipole, Da:	5.22
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-3-(nitromethyl)-2-propylpentanoate

Drug info:

PubChemData

Smile

CCSP(=O)(C)O/N=C(/C)\Cl

DOS

IR

Vibrations