Geometry & MOs

Info

ID:

112501

PubChem CID:

50409470

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-248.25

Dipole, Da:

9.58

IP(EA), eV:

 -8.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NCC(C)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations