Geometry & MOs

Info

ID:	69283
PubChem CID:	46530580
Reduced:	N5O6H13C17 (1)
Stoich.:	A5B6C13D17 (1)
Weight, g/mol:	466.104397
ΔH_f, kcal/mol:	-100.3
Dipole, Da:	4.9
IP(EA), eV:	-8.92(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-nitrophenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)N)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations