Geometry & MOs

Info

ID:	390838
PubChem CID:	135001188
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	7.51
IP(EA), eV:	-9.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-(2-benzamido-2-oxoethyl)-2-(benzylamino)-2-cyano-5-methylhexanoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](CC(=O)NC(=O)C1=CC=CC=C1)C(C#N)(C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations