Geometry & MOs

Info

ID:	342778
PubChem CID:	127265941
Reduced:	BrSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	522.168539
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	3.86
IP(EA), eV:	-9.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=NN2C)Br

DOS

IR

Vibrations