Geometry & MOs

Info

ID:

116068

PubChem CID:

50545471

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

736.371511

ΔHf, kcal/mol:

-228.21

Dipole, Da:

7.79

IP(EA), eV:

 -8.96(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)Cl)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations