Geometry & MOs

Info

ID:	408404
PubChem CID:	135081170
Reduced:	NO5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	190.077599
ΔH_f, kcal/mol:	-240.15
Dipole, Da:	4.02
IP(EA), eV:	-10.09(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N,N,3-trimethyl-4-nitrobutanethioamide

Drug info:

PubChemData

Smile

CC(=O)NC[C@@H](CC(=O)O)CC(=O)OC

DOS

IR

Vibrations