Geometry & MOs

Info

ID:	387375
PubChem CID:	134985139
Reduced:	N2O2H16C21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	440.215866
ΔH_f, kcal/mol:	111.17
Dipole, Da:	4.86
IP(EA), eV:	-9.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-[(1R,2S,3R)-2,4-dihydroxy-1-nitro-3-phenylmethoxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C#N)(C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations