Geometry & MOs

Info

ID:	134731
PubChem CID:	51747149
Reduced:	ClN2O5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	500.163348
ΔH_f, kcal/mol:	-158.08
Dipole, Da:	4.78
IP(EA), eV:	-9.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-2-[[2-(2,3-dichlorophenyl)acetyl]-(furan-2-ylmethyl)amino]-2-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)Cl)N(CC2=CC=CO2)C(=O)C3=C(C=CC=C3O)O

DOS

IR

Vibrations