Geometry & MOs

Info

ID:	161556
PubChem CID:	57391976
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	491.172621
ΔH_f, kcal/mol:	-36.91
Dipole, Da:	5.91
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N'-[(E)-3-(benzenesulfonyl)prop-2-enoyl]-2-[(2-butoxy-3,4-dioxocyclobuten-1-yl)amino]-4-methylpentanehydrazide

Drug info:

PubChemData

Smile

CN(CC1CCCCC1)CC2=CN(N=N2)C3CCCCC3OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations