Geometry & MOs

Info

ID:	302704
PubChem CID:	124392045
Reduced:	SN3O6C17H19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	319.116821
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	13.67
IP(EA), eV:	-9.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[2-[4-(2-methylpropanoylamino)benzoyl]hydrazinyl]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N[C@H](C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations