Geometry & MOs

Info

ID:

109557

PubChem CID:

50288158

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-229.75

Dipole, Da:

5.64

IP(EA), eV:

 -8.93(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations