Geometry & MOs

Info

ID:	375678
PubChem CID:	134220760
Reduced:	INOC2S3H6 (1)
Stoich.:	ABCD2E3F6 (1)
Weight, g/mol:	340.017018
ΔH_f, kcal/mol:	-27.22
Dipole, Da:	1.54
IP(EA), eV:	-9.08(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,15-dichloro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4(9),5,7,12(20),13,15,17-octaen-11-one

Drug info:

PubChemData

Smile

C(N)SSCOSI

DOS

IR

Vibrations