Geometry & MOs

Info

ID:	302808
PubChem CID:	124396551
Reduced:	SO3N5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	407.128134
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	6.56
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)[C@@H](C)NC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations