Geometry & MOs

Info

ID:	169672
PubChem CID:	75135180
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-125.73
Dipole, Da:	3.28
IP(EA), eV:	-9.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazinane-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2C(C(=O)NC(=O)N2CC3=CC=CC=C3)NC)C

DOS

IR

Vibrations