Geometry & MOs

Info

ID:	122557
PubChem CID:	50812429
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	7.53
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenoxy)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

DOS

IR

Vibrations