Geometry & MOs

Info

ID:

97542

PubChem CID:

50032468

Reduced:

ClFO5N6C42H50 (1)

Stoich.:

ABC5D6E42F50 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-247.12

Dipole, Da:

7.88

IP(EA), eV:

 -8.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6CCCCC6)Cl

DOS

IR

Vibrations