Geometry & MOs

Info

ID:	396191
PubChem CID:	135027689
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	478.165935
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	5.34
IP(EA), eV:	-9.35(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-2-(benzhydrylideneamino)-3-(2-chlorophenyl)-4-nitrobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](C[N+](=O)[O-])[C@@H](C(=O)OC(C)(C)C)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations