Geometry & MOs

Info

ID:	53991
PubChem CID:	14719309
Reduced:	ClNO3C24H38 (1)
Stoich.:	ABC3D24E38 (1)
Weight, g/mol:	465.300972
ΔH_f, kcal/mol:	-179.33
Dipole, Da:	3.78
IP(EA), eV:	-9.66(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,2S,3S,5R)-3-[[2-chloro-2-(4-propylcyclohexyl)acetyl]amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(C2)NC(=O)C(C3CCCCC3)Cl)C/C=C/CCCC(=O)O)C

DOS

IR

Vibrations