Geometry & MOs

Info

ID:	148585
PubChem CID:	53788253
Reduced:	ClSN4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	746.314971
ΔH_f, kcal/mol:	58.66
Dipole, Da:	2.29
IP(EA), eV:	-8.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,4,23,24-tetraacetyloxy-11-hydroxy-2,5,15-trimethyl-9,19-dioxo-22-propan-2-yl-7,20-dioxahexacyclo[13.9.0.02,12.05,11.06,8.016,22]tetracos-17-ene-6-carboxylate

Drug info:

PubChemData

Smile

CCCSC1=NNC(=N1)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations