Geometry & MOs

Info

ID:	61743
PubChem CID:	26712348
Reduced:	ClSN2O5H21C23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	285.100108
ΔH_f, kcal/mol:	-135.78
Dipole, Da:	6.57
IP(EA), eV:	-8.53(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations