Geometry & MOs

Info

ID:	195683
PubChem CID:	78723266
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	382.180053
ΔH_f, kcal/mol:	-147.44
Dipole, Da:	5.68
IP(EA), eV:	-8.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2)C

DOS

IR

Vibrations