Geometry & MOs

Info

ID:	35049
PubChem CID:	7979233
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	419.115107
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	6.35
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CC1)OC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations