Geometry & MOs

Info

ID:	54000
PubChem CID:	14719329
Reduced:	ClNO3C23H38 (1)
Stoich.:	ABC3D23E38 (1)
Weight, g/mol:	411.254022
ΔH_f, kcal/mol:	-182.03
Dipole, Da:	5.18
IP(EA), eV:	-9.83(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,2S,3S,5R)-3-(7-chloroheptanoylamino)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(C2)NC(=O)CCCCCCCl)C/C=C/CCCC(=O)O)C

DOS

IR

Vibrations