Geometry & MOs

Info

ID:	160664
PubChem CID:	57389368
Reduced:	SN2O3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	530.324354
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	4.68
IP(EA), eV:	-9.85(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3E,5Z,7E)-8-[(13E,15R)-5-hydroxy-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-11-yl]-3-methylocta-3,5,7-trienoate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@]1(C(=O)NS(=O)(=O)C2CC2)N

DOS

IR

Vibrations