Geometry & MOs

Info

ID:	197350
PubChem CID:	78955106
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-133.92
Dipole, Da:	3.41
IP(EA), eV:	-9.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)Cl)OC2CCOCC2)O

DOS

IR

Vibrations