Geometry & MOs

Info

ID:	135078
PubChem CID:	51810402
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	436.132048
ΔH_f, kcal/mol:	-133.56
Dipole, Da:	6.1
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-4-hydroxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=CO1)N(CCC)C(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations