Geometry & MOs

Info

ID:	402183
PubChem CID:	135054776
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	4.56
IP(EA), eV:	-8.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R,3R)-1-ethoxy-3-(4-nitroanilino)-2-propylpentyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C([C@H]([C@@H]1[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=C(N2C)C=CC(=C4)C

DOS

IR

Vibrations