Geometry & MOs

Info

ID:	177864
PubChem CID:	76245762
Reduced:	OSF2N3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-65.73
Dipole, Da:	6.61
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(1-cyclopropylethyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1,3-diazinan-5-yl)propanamide

Drug info:

PubChemData

Smile

CN(CC1NC2C(C=C(S2)C3=CC=CC=C3)C(=O)N1)CC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations