Geometry & MOs

Info

ID:	53992
PubChem CID:	14719312
Reduced:	ClNO3C27H44 (1)
Stoich.:	ABC3D27E44 (1)
Weight, g/mol:	497.296365
ΔH_f, kcal/mol:	-195.62
Dipole, Da:	2.27
IP(EA), eV:	-9.73(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)C3(C)C)Cl

DOS

IR

Vibrations