Geometry & MOs

Info

ID:	396189
PubChem CID:	135027670
Reduced:	ClNO4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	462.195486
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	3.34
IP(EA), eV:	-9.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CC[C@@]1(CCN(C1=O)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations