Geometry & MOs

Info

ID:	53983
PubChem CID:	14719297
Reduced:	NSO3C32H47 (1)
Stoich.:	ABC3D32E47 (1)
Weight, g/mol:	483.280715
ΔH_f, kcal/mol:	-151.96
Dipole, Da:	5.86
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[3-[(2-cyclopentyl-2-phenylsulfanylacetyl)amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCC1CCC(C1)C(C(=O)NC2CC3CC(C2C/C=C/CCCC(=O)O)C3(C)C)SC4=CC=CC=C4

DOS

IR

Vibrations