Geometry & MOs

Info

ID:	168009
PubChem CID:	74911340
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-65.37
Dipole, Da:	2.4
IP(EA), eV:	-8.66(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[6-oxo-2-(1-phenylethylsulfanyl)-1,3-diazinan-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)SCC2=CC=CC=C2)CC(=O)NC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations