Geometry & MOs

Info

ID:

118917

PubChem CID:

50663828

Reduced:

ClSO4N5C29H36 (1)

Stoich.:

ABC4D5E29F36 (1)

Weight, g/mol:

738.367175

ΔHf, kcal/mol:

-159.31

Dipole, Da:

7.18

IP(EA), eV:

 -8.4(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations