Geometry & MOs

Info

ID:	167498
PubChem CID:	74836691
Reduced:	SN2O5C36H38 (1)
Stoich.:	AB2C5D36E38 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-156.21
Dipole, Da:	5.53
IP(EA), eV:	-8.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethoxyphenyl)-5-oxo-1,2,4-triazinan-6-yl]-N-(1-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)C4=CC=CC=C4)C)CCC(=O)NC(CSCC5=CC=CC=C5)C(=O)NC(C)C

DOS

IR

Vibrations