Geometry & MOs

Info

ID:	138108
PubChem CID:	52315369
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	5.13
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-[[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC(=C1)CNC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations