Geometry & MOs

Info

ID:	192017
PubChem CID:	78214324
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-48.21
Dipole, Da:	6.04
IP(EA), eV:	-8.99(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1C=C2C=CC(=CC2=NC1=O)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations