Geometry & MOs

Info

ID:	135147
PubChem CID:	51824737
Reduced:	ClO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-124.74
Dipole, Da:	4.79
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CC[C@@H]1C(=O)N(C(=O)N1)CCC2=CNC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations