Geometry & MOs

Info

ID:	383416
PubChem CID:	134975122
Reduced:	S2O7C12H16 (1)
Stoich.:	A2B7C12D16 (1)
Weight, g/mol:	458.250235
ΔH_f, kcal/mol:	-307.93
Dipole, Da:	5.91
IP(EA), eV:	-9.05(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-9,13,28-trioxa-1,4,5,6,16,17,18,23,24,25-decazapentacyclo[9.9.9.14,7.115,18.123,26]dotriaconta-5,7(32),15(31),16,24,26(30)-hexaene

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C2CSS[C@H](O2)C(C1OC(=O)C)OC(=O)C

DOS

IR

Vibrations