Geometry & MOs

Info

ID:	60773
PubChem CID:	26701994
Reduced:	SN2O2F3H13C15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	472.00924
ΔH_f, kcal/mol:	-199.73
Dipole, Da:	8.28
IP(EA), eV:	-9.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromobenzoyl)amino]phenyl] 3-(thiophene-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations