Geometry & MOs

Info

ID:	140682
PubChem CID:	52740757
Reduced:	ClFON3H19C21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	450.114648
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	4.14
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N[C@H]3CCC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations