Geometry & MOs

Info

ID:	141181
PubChem CID:	52833738
Reduced:	O2F3N4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	456.105174
ΔH_f, kcal/mol:	-196.39
Dipole, Da:	3.54
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-[[(2R)-1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-3-yl]sulfonyl-(4-methylphenyl)azanide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CNC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations