Geometry & MOs

Info

ID:	157365
PubChem CID:	56423125
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	454.01981
ΔH_f, kcal/mol:	-136.1
Dipole, Da:	4.89
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C(=O)NCC2=C3C(=CC=C2)OCCO3

DOS

IR

Vibrations