Geometry & MOs

Info

ID:	394110
PubChem CID:	135022359
Reduced:	NSH17C24 (1)
Stoich.:	ABC17D24 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	101.35
Dipole, Da:	1.16
IP(EA), eV:	-8.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,8R,9R,10S,14R)-14-methoxy-5,5,10-trimethyl-7,13-dioxapentacyclo[7.4.1.02,8.03,6.06,12]tetradecan-10-ol

Drug info:

PubChemData

Smile

CC1=C2C3=CC=CC=C3SC2=C(C(=N1)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations