Geometry & MOs

Info

ID:	38406
PubChem CID:	8035270
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	4.97
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CCC4=CC=CC=C4)CC(=O)O)C

DOS

IR

Vibrations