Geometry & MOs

Info

ID:	53988
PubChem CID:	14719304
Reduced:	NO4C24H39 (1)
Stoich.:	AB4C24D39 (1)
Weight, g/mol:	447.334859
ΔH_f, kcal/mol:	-219.93
Dipole, Da:	3.62
IP(EA), eV:	-9.48(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@H]1[C@@H]([C@H](C2)NC(=O)C(C3CCCCC3)O)C/C=C\CCCC(=O)O)C

DOS

IR

Vibrations