Geometry & MOs

Info

ID:	440692
PubChem CID:	135230981
Reduced:	SN4O5C18H32 (1)
Stoich.:	AB4C5D18E32 (1)
Weight, g/mol:	423.97827
ΔH_f, kcal/mol:	-239.47
Dipole, Da:	4.02
IP(EA), eV:	-9.2(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-17-methyl-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene

Drug info:

PubChemData

Smile

CNC(=O)CCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2

DOS

IR

Vibrations