Geometry & MOs

Info

ID:

95940

PubChem CID:

50017052

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-214.17

Dipole, Da:

5.76

IP(EA), eV:

 -8.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N

DOS

IR

Vibrations