Geometry & MOs

Info

ID:	387367
PubChem CID:	134985111
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	356.213134
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	5.89
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-N,N-diethyl-6-nitrocyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C[C@@H]([C@H](C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations