Geometry & MOs

Info

ID:	194198
PubChem CID:	78497035
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	350.087118
ΔH_f, kcal/mol:	-162.34
Dipole, Da:	6.18
IP(EA), eV:	-8.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations