Geometry & MOs

Info

ID:	194132
PubChem CID:	78488414
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-132.91
Dipole, Da:	2.46
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-amino-6-oxo-2-(1-phenylethylsulfanyl)-1,3-diazinan-5-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations