Geometry & MOs

Info

ID:

111069

PubChem CID:

50351183

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-238.67

Dipole, Da:

5.68

IP(EA), eV:

 -8.88(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NCC(C)C)C)F

DOS

IR

Vibrations