Geometry & MOs

Info

ID:	60790
PubChem CID:	26702194
Reduced:	BrFNO4H15C21 (1)
Stoich.:	ABCD4E15F21 (1)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-126.56
Dipole, Da:	2.55
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 3-(thiophene-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)F

DOS

IR

Vibrations