Geometry & MOs

Info

ID:	63186
PubChem CID:	26746625
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-170.1
Dipole, Da:	3.95
IP(EA), eV:	-9.56(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)NC(=O)NCC1=CC=CC=C1

DOS

IR

Vibrations