Geometry & MOs

Info

ID:	61283
PubChem CID:	26707959
Reduced:	F3N3O3H22C27 (1)
Stoich.:	A3B3C3D22E27 (1)
Weight, g/mol:	426.119127
ΔH_f, kcal/mol:	-211.61
Dipole, Da:	6.88
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations