Geometry & MOs

Info

ID:	34062
PubChem CID:	7889643
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-137.42
Dipole, Da:	2.99
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-benzamidoacetate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations