Geometry & MOs

Info

ID:	234405
PubChem CID:	92298352
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	24.59
Dipole, Da:	6.21
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(E)-benzylideneamino]-2-(4-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N/N=C\C1=CC=C(C=C1)OC2=CC=CC=C2)SCC3=CC=CC=C3

DOS

IR

Vibrations