Geometry & MOs

Info

ID:	134653
PubChem CID:	51734599
Reduced:	ClN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	438.17102
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	3.39
IP(EA), eV:	-9.29(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3S)-1-(tert-butylamino)-1-oxo-3-phenylbutan-2-yl]-N-(3-chlorophenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)[C@@H](C(=O)NC(C)(C)C)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=CO3

DOS

IR

Vibrations