Geometry & MOs

Info

ID:	68259
PubChem CID:	46508073
Reduced:	ClS2O3N4C20H21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	1.72
IP(EA), eV:	-8.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3,4-dimethoxybenzoyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C

DOS

IR

Vibrations