Geometry & MOs

Info

ID:	140394
PubChem CID:	52690163
Reduced:	S2O3N4C20H28 (1)
Stoich.:	A2B3C4D20E28 (1)
Weight, g/mol:	425.122084
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	3.7
IP(EA), eV:	-8.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)CN(CCC)C(=O)CSCC1=NC2=C(C3=C(S2)CCC3)C(=O)N1

DOS

IR

Vibrations