Geometry & MOs

Info

ID:

117894

PubChem CID:

50619667

Reduced:

ClFO5N6C42H44 (1)

Stoich.:

ABC5D6E42F44 (1)

Weight, g/mol:

770.279503

ΔHf, kcal/mol:

-189.47

Dipole, Da:

5.74

IP(EA), eV:

 -8.88(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NCC6=CC=C(C=C6)F)Cl

DOS

IR

Vibrations