Geometry & MOs

Info

ID:	54001
PubChem CID:	14719330
Reduced:	ClNO3C23H38 (1)
Stoich.:	ABC3D23E38 (1)
Weight, g/mol:	391.308644
ΔH_f, kcal/mol:	-185.62
Dipole, Da:	6.01
IP(EA), eV:	-9.52(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[6,6-dimethyl-3-(6-methylheptanoylamino)-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)CCCCCCCl)C/C=C\CCCC(=O)O)C

DOS

IR

Vibrations