Geometry & MOs

Info

ID:	56555
PubChem CID:	17436279
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-135.2
Dipole, Da:	4.23
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(7,8-dihydronaphthalen-1-yloxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)SCC(=O)NCC2CCCO2)C(=O)N)C

DOS

IR

Vibrations