Geometry & MOs

Info

ID:	185981
PubChem CID:	77374786
Reduced:	F3N4O6C40H51 (1)
Stoich.:	A3B4C6D40E51 (1)
Weight, g/mol:	813.475315
ΔH_f, kcal/mol:	-405.41
Dipole, Da:	5.15
IP(EA), eV:	-9.24(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)C(C(C)C)NC(=O)C(CC2=CC=C(C=C2)OC(F)(F)F)CC(C(CC3=CC=CC=C3)N)O)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations