Geometry & MOs

Info

ID:	162356
PubChem CID:	57394417
Reduced:	SO3N4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	452.070989
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	5.5
IP(EA), eV:	-8.7(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=O)N(C=N2)CC(=O)NN/C=C\3/C=CC=CC3=O

DOS

IR

Vibrations