Geometry & MOs

Info

ID:

95856

PubChem CID:

50015815

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-222.84

Dipole, Da:

17.52

IP(EA), eV:

 -8.44(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorophenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations