Geometry & MOs

Info

ID:	370503
PubChem CID:	127339434
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	4.03
IP(EA), eV:	-9.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=N2)C(C)C)C(=O)NC3CC4CCC3C4)C(=O)NC1=O

DOS

IR

Vibrations