Geometry & MOs

Info

ID:

114671

PubChem CID:

50491587

Reduced:

ClFO5N6C35H38 (1)

Stoich.:

ABC5D6E35F38 (1)

Weight, g/mol:

638.321668

ΔHf, kcal/mol:

-214.18

Dipole, Da:

7.79

IP(EA), eV:

 -9.0(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations