Geometry & MOs

Info

ID:	153694
PubChem CID:	56312988
Reduced:	ClO2F3N3H21C22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	487.171891
ΔH_f, kcal/mol:	-189.53
Dipole, Da:	5.04
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations