Geometry & MOs

Info

ID:	84943
PubChem CID:	49870828
Reduced:	OSN5H15C20 (1)
Stoich.:	ABC5D15E20 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	120.55
Dipole, Da:	3.99
IP(EA), eV:	-8.97(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,5aR,10aS,10bS)-8-formyl-5a-methyl-3-propan-2-yl-1,2,3,4,5,6,7,10,10a,10b-decahydrocyclohepta[g]indene-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=C1C3=CC(=NN3C=N2)C4=CSC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations