Geometry & MOs

Info

ID:

119189

PubChem CID:

50673132

Reduced:

ClFO4N5C34H43 (1)

Stoich.:

ABC4D5E34F43 (1)

Weight, g/mol:

746.275024

ΔHf, kcal/mol:

-214.98

Dipole, Da:

5.81

IP(EA), eV:

 -8.76(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations