Geometry & MOs

Info

ID:	163888
PubChem CID:	74380626
Reduced:	SN4O6C24H24 (1)
Stoich.:	AB4C6D24E24 (1)
Weight, g/mol:	499.195465
ΔH_f, kcal/mol:	-120.8
Dipole, Da:	4.94
IP(EA), eV:	-9.26(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethoxyphenyl)methyl 4-[2-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)COC2=CC=C(C=C2)C=CC(=O)NO)C(=O)OCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations