Geometry & MOs

Info

ID:	396193
PubChem CID:	135027692
Reduced:	N2O4H30C31 (1)
Stoich.:	A2B4C30D31 (1)
Weight, g/mol:	434.184172
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	4.23
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(benzhydrylideneamino)-3-(furan-2-yl)-4-nitrobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]([C@H](C[N+](=O)[O-])C1=CC=CC2=CC=CC=C21)N=C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations