Geometry & MOs

Info

ID:	32097
PubChem CID:	4266051
Reduced:	OF2Cl3N3H8C13 (1)
Stoich.:	AB2C3D3E8F13 (1)
Weight, g/mol:	519.253335
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	4.53
IP(EA), eV:	-8.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-pentylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NNC2=NC(=C(C=C2Cl)Cl)Cl)OC(F)F

DOS

IR

Vibrations