Geometry & MOs

Info

ID:	30651
PubChem CID:	841622
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	277.052112
ΔH_f, kcal/mol:	38.35
Dipole, Da:	5.85
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@]2(C1)NC(=S)N(N2)C3=CC=CC=C3

DOS

IR

Vibrations