Geometry & MOs

Info

ID:	312911
PubChem CID:	126609858
Reduced:	NF2O3H21C26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	451.105371
ΔH_f, kcal/mol:	-148.13
Dipole, Da:	0.49
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC2=C(C1)C=CC=C2NC(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)F)F

DOS

IR

Vibrations