Geometry & MOs

Info

ID:

115461

PubChem CID:

50523561

Reduced:

ClFO5N6C39H48 (1)

Stoich.:

ABC5D6E39F48 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-238.28

Dipole, Da:

5.99

IP(EA), eV:

 -9.14(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2-fluorophenyl)carbamoyl]-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)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NCC(C)C)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations