Geometry & MOs

Info

ID:	193042
PubChem CID:	78337578
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	287.141596
ΔH_f, kcal/mol:	-103.27
Dipole, Da:	6.12
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCC2=NC(=NC(=O)C2C1)C3=CC(=CC=C3)OC

DOS

IR

Vibrations