Geometry & MOs

Info

ID:	176668
PubChem CID:	76080594
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	445.239913
ΔH_f, kcal/mol:	-23.33
Dipole, Da:	3.58
IP(EA), eV:	-9.2(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[4-[2-(phenylcarbamoyl)hydrazinyl]butyl]-7-thiabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1NC(C(C(=O)N1)N)NCCCC2=CC=CC=C2

DOS

IR

Vibrations