Geometry & MOs

Info

ID:

113062

PubChem CID:

50430443

Reduced:

FO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-217.11

Dipole, Da:

5.84

IP(EA), eV:

 -8.86(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C)F)C

DOS

IR

Vibrations