Geometry & MOs

Info

ID:	187576
PubChem CID:	77593953
Reduced:	N2O2F5C27H27 (1)
Stoich.:	A2B2C5D27E27 (1)
Weight, g/mol:	546.205213
ΔH_f, kcal/mol:	-299.95
Dipole, Da:	8.93
IP(EA), eV:	-9.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-[(2,6-dichlorophenyl)methyl]-5-methyl-2-oxopiperidin-4-yl]hexanoylamino]-3-(4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(=O)NC)NCCC(C2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)OC(F)F

DOS

IR

Vibrations