Geometry & MOs

Info

ID:	161557
PubChem CID:	57391980
Reduced:	SN3O7C23H29 (1)
Stoich.:	AB3C7D23E29 (1)
Weight, g/mol:	539.172621
ΔH_f, kcal/mol:	-180.73
Dipole, Da:	5.43
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=O)C1=O)N[C@@H](CC(C)C)C(=O)NNC(=O)/C=C/S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations