Geometry & MOs

Info

ID:	216725
PubChem CID:	85086675
Reduced:	LiSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	14.58
IP(EA), eV:	-6.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-[(4-methylphenyl)methoxymethyl]-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

[Li+].CCC1[CH-]N(C(=S)NC1=O)COCC2=CC=C(C=C2)C

DOS

IR

Vibrations