Geometry & MOs

Info

ID:	194173
PubChem CID:	78493841
Reduced:	ClSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-170.38
Dipole, Da:	3.62
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CC1CC(=O)NC(N1)SCC(=O)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations