Geometry & MOs

Info

ID:	135015
PubChem CID:	51797929
Reduced:	ClN2O2C30H33 (1)
Stoich.:	AB2C2D30E33 (1)
Weight, g/mol:	418.165935
ΔH_f, kcal/mol:	-60.25
Dipole, Da:	5.75
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations