Geometry & MOs

Info

ID:	174169
PubChem CID:	75733786
Reduced:	ClN2O2F3C27H34 (1)
Stoich.:	AB2C2D3E27F34 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-253.68
Dipole, Da:	4.66
IP(EA), eV:	-9.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(tert-butylamino)-1-oxo-3-phenylbutan-2-yl]-4-nitro-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C(C1=CC=C(C=C1)C(F)(F)F)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations