Geometry & MOs

Info

ID:	56458
PubChem CID:	17425509
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	6.16
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)C(C1=CC=CC=C1)N2CCC(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations