Geometry & MOs

Info

ID:	28260
PubChem CID:	826612
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	336.136159
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	0.68
IP(EA), eV:	-8.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,16S)-16-propan-2-yloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

Drug info:

PubChemData

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CN(C)CC1=CC=CC=C1SC2=CC=CC3=C2OCO3

DOS

IR

Vibrations