Geometry & MOs

Info

ID:	224223
PubChem CID:	85340215
Reduced:	NO3S3H9C14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	350.079038
ΔH_f, kcal/mol:	-22.96
Dipole, Da:	4.09
IP(EA), eV:	-9.08(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,18-dihydroxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3,5,7(23),9,13(22),14,16-heptaen-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)O)SC2=CC=C(O2)C=C3C(=O)NC(=S)S3

DOS

IR

Vibrations