Geometry & MOs

Info

ID:	343299
PubChem CID:	127266472
Reduced:	SN5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	362.083747
ΔH_f, kcal/mol:	118.54
Dipole, Da:	3.73
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-3-hydroxy-4-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)/C(=C/NN3C(=NNC3=S)CC)/C=N2

DOS

IR

Vibrations