Geometry & MOs

Info

ID:	283038
PubChem CID:	103954712
Reduced:	ClFOSH8C9 (1)
Stoich.:	ABCDE8F9 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	1.65
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(4-aminocyclohexanecarbonyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(CS1)C(=C(C=C2)F)Cl)O

DOS

IR

Vibrations