Geometry & MOs

Info

ID:	164201
PubChem CID:	74382277
Reduced:	OF3N4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	1112.587045
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	9.26
IP(EA), eV:	-8.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis[5-[acetyl-[2-(4-fluorophenyl)ethyl]carbamoyl]-1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

C1CNC(=C(NC2=CC=CC(=C2)C(F)(F)F)N=O)CN1

DOS

IR

Vibrations