Geometry & MOs

Info

ID:	61196
PubChem CID:	26706954
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	422.131171
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	6.79
IP(EA), eV:	-9.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations