Geometry & MOs

Info

ID:	359528
PubChem CID:	127298802
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	373.203528
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	11.1
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

DOS

IR

Vibrations