Geometry & MOs

Info

ID:	133525
PubChem CID:	51540024
Reduced:	BrO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	5.48
IP(EA), eV:	-9.25(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)Br)N(C)CC(=O)NC(C)C

DOS

IR

Vibrations