Geometry & MOs

Info

ID:	193627
PubChem CID:	78415137
Reduced:	ClN4O4C17H21 (1)
Stoich.:	AB4C4D17E21 (1)
Weight, g/mol:	468.089226
ΔH_f, kcal/mol:	-124.19
Dipole, Da:	4.23
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[5,6-bis(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-triazin-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(CN2C3C(N=C2Cl)N(C(=O)N(C3=O)C)C)O

DOS

IR

Vibrations