Geometry & MOs

Info

ID:

113058

PubChem CID:

50429973

Reduced:

FO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-206.06

Dipole, Da:

7.18

IP(EA), eV:

 -8.87(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methyl-4-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC)F

DOS

IR

Vibrations