Geometry & MOs

Info

ID:	155696
PubChem CID:	56366961
Reduced:	ClO3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	404.03717
ΔH_f, kcal/mol:	-108.91
Dipole, Da:	2.78
IP(EA), eV:	-9.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCCC(=O)NCC1=CC=NC=C1)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations