Geometry & MOs

Info

ID:	60900
PubChem CID:	26702995
Reduced:	F3N3O5C22H22 (1)
Stoich.:	A3B3C5D22E22 (1)
Weight, g/mol:	471.06557
ΔH_f, kcal/mol:	-249.14
Dipole, Da:	7.83
IP(EA), eV:	-8.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorobenzoyl)amino]phenyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations