Geometry & MOs

Info

ID:	346608
PubChem CID:	127271112
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-213.59
Dipole, Da:	5.2
IP(EA), eV:	-9.29(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-morpholin-4-ylsulfonyl-N-[1-(oxolan-2-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(C)CC3CCCO3

DOS

IR

Vibrations