Geometry & MOs

Info

ID:	174326
PubChem CID:	75752387
Reduced:	ClN2O4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	458.152783
ΔH_f, kcal/mol:	-139.86
Dipole, Da:	2.77
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-(butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC2=C(C=C1)OCO2)N(C(=O)C3=CC(=CC=C3)Cl)C(C)(C)C

DOS

IR

Vibrations