Geometry & MOs

Info

ID:	63760
PubChem CID:	26759132
Reduced:	NSCl2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	464.089821
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	2.37
IP(EA), eV:	-9.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithiolan-2-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations