Geometry & MOs

Info

ID:	148031
PubChem CID:	53787693
Reduced:	NC27H35 (1)
Stoich.:	AB27C35 (1)
Weight, g/mol:	476.325023
ΔH_f, kcal/mol:	55.34
Dipole, Da:	6.3
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[[[2-(5-cyclohexylpentanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)CCC2CCC(CC2)C=CC#CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations