Geometry & MOs

Info

ID:	61746
PubChem CID:	26712449
Reduced:	SN2O6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-196.61
Dipole, Da:	6.71
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations