Geometry & MOs

Info

ID:	62744
PubChem CID:	26736576
Reduced:	OF2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	400.105705
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	4.05
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations