Geometry & MOs

Info

ID:	194175
PubChem CID:	78493962
Reduced:	SN4O5C17H28 (1)
Stoich.:	AB4C5D17E28 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-257.74
Dipole, Da:	6.66
IP(EA), eV:	-9.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)SC2NC(CC(=O)N2)CC(=O)OC

DOS

IR

Vibrations