Geometry & MOs

Info

ID:	134884
PubChem CID:	51774884
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	0.85
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]-4-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C2=CC=C(C=C2)O)C

DOS

IR

Vibrations