Geometry & MOs

Info

ID:	134752
PubChem CID:	51752437
Reduced:	ClN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	467.197569
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	0.7
IP(EA), eV:	-8.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations