Geometry & MOs

Info

ID:	168008
PubChem CID:	74911158
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-33.04
Dipole, Da:	2.44
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzylsulfanyl-4-methyl-6-oxo-1,3-diazinan-5-yl)-N-(2,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2C1C(=O)N(C(=O)N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations