Geometry & MOs

Info

ID:

95522

PubChem CID:

50010008

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-207.57

Dipole, Da:

8.28

IP(EA), eV:

 -8.77(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C

DOS

IR

Vibrations