Geometry & MOs

Info

ID:	37900
PubChem CID:	8025407
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	2.5
IP(EA), eV:	-8.4(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diethyl-5-[[(2S)-4-phenylbutan-2-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations