Geometry & MOs

Info

ID:	383300
PubChem CID:	134974938
Reduced:	O2N3S4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	348.221993
ΔH_f, kcal/mol:	2.51
Dipole, Da:	5.7
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-methylspiro[4,5-dihydro-3H-1-benzoxepine-2,1'-cyclododecane]

Drug info:

PubChemData

Smile

CCOC(=S)SC(CCC1=NC(=CC=C1)CCC(CC#N)SC(=S)OCC)CC#N

DOS

IR

Vibrations