Geometry & MOs

Info

ID:

112524

PubChem CID:

50410242

Reduced:

ClFO5N6C42H46 (1)

Stoich.:

ABC5D6E42F46 (1)

Weight, g/mol:

782.335875

ΔHf, kcal/mol:

-205.01

Dipole, Da:

8.49

IP(EA), eV:

 -8.74(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-[(2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-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)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations