Geometry & MOs

Info

ID:	235387
PubChem CID:	92310320
Reduced:	ClNOS3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	390.204239
ΔH_f, kcal/mol:	19.95
Dipole, Da:	1.79
IP(EA), eV:	-9.13(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,10R,11R,14R,15R)-5,11-dihydroxy-15-methyl-14-(5-oxo-2H-furan-3-yl)tricyclo[8.7.0.011,15]heptadecane-2,7-dione

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C2=CC=C(S2)Cl)/SC1=S

DOS

IR

Vibrations