Geometry & MOs

Info

ID:	123554
PubChem CID:	50853899
Reduced:	ClN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	37.96
Dipole, Da:	6.31
IP(EA), eV:	-8.55(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-cyclopentylpyrrol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=CC2=CN(C=C2)C(C)C)Cl

DOS

IR

Vibrations