Geometry & MOs

Info

ID:	187088
PubChem CID:	77529983
Reduced:	ClSF2O3N4C21H25 (1)
Stoich.:	ABC2D3E4F21G25 (1)
Weight, g/mol:	468.16787
ΔH_f, kcal/mol:	-198.15
Dipole, Da:	4.81
IP(EA), eV:	-9.63(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(3-methylmorpholin-4-yl)-3-oxopropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1S(=O)(=O)NC(CN)C(=O)N2CCC(=C(F)F)CC2)C3=CC=CC=N3.Cl

DOS

IR

Vibrations