Geometry & MOs

Info

ID:	234012
PubChem CID:	92297533
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	1.55
IP(EA), eV:	-8.77(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-methyl-2-(3-methylbutylcarbamoylamino)pentanoate

Drug info:

PubChemData

Smile

CC[C@H](C)NC[C@H](CO[C@@H](CC)C1=CC=CC=C1)O

DOS

IR

Vibrations