Geometry & MOs

Info

ID:	165253
PubChem CID:	74521866
Reduced:	NO2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	2.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754372
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-(2-benzylsulfanylacetyl)-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COCC(C[NH+]2CCCC2)O

DOS

IR

Vibrations