Geometry & MOs

Info

ID:	175672
PubChem CID:	75934575
Reduced:	ClSO2N3H14C20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	438.182458
ΔH_f, kcal/mol:	4.61
Dipole, Da:	4.42
IP(EA), eV:	-8.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations