Geometry & MOs

Info

ID:	396218
PubChem CID:	135027734
Reduced:	N2O4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	5.51
IP(EA), eV:	-9.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(benzhydrylideneamino)-4-methyl-3-(nitromethyl)pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]([C@H](C[N+](=O)[O-])C1CCCCC1)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations