Geometry & MOs

Info

ID:	134759
PubChem CID:	51752444
Reduced:	ClN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	438.17102
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	2.82
IP(EA), eV:	-8.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-chloro-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)N(C)C)N(CC2=CC=CO2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations