Geometry & MOs

Info

ID:	379718
PubChem CID:	134460987
Reduced:	IS2O3H5C7 (1)
Stoich.:	AB2C3D5E7 (1)
Weight, g/mol:	460.99128
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	5.29
IP(EA), eV:	-9.45(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-16-methyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione

Drug info:

PubChemData

Smile

C(C1C(=O)/C(=C\I)/SC1=S)C(=O)O

DOS

IR

Vibrations