Geometry & MOs

Info

ID:	194172
PubChem CID:	78493840
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	385.086305
ΔH_f, kcal/mol:	-177.78
Dipole, Da:	5.06
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CSC2NC(CC(=O)N2)CC(=O)OC

DOS

IR

Vibrations