Geometry & MOs

Info

ID:	170616
PubChem CID:	75258894
Reduced:	ClOS2N4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	8.55
Dipole, Da:	2.24
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1C(NNN1)SCCNC(=O)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations