Geometry & MOs

Info

ID:	141098
PubChem CID:	52817442
Reduced:	O3N8C15H16 (1)
Stoich.:	A3B8C15D16 (1)
Weight, g/mol:	438.142485
ΔH_f, kcal/mol:	66.49
Dipole, Da:	12.75
IP(EA), eV:	-9.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-difluorophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1CCC(=O)NC2=NN(C=N2)CC3=CC=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations