Geometry & MOs

Info

ID:	134651
PubChem CID:	51734507
Reduced:	ClN2O5C29H29 (1)
Stoich.:	AB2C5D29E29 (1)
Weight, g/mol:	438.17102
ΔH_f, kcal/mol:	-140.18
Dipole, Da:	6.38
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N(C2=CC(=CC=C2)Cl)[C@H](C3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations