Geometry & MOs

Info

ID:

110814

PubChem CID:

50340776

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-198.23

Dipole, Da:

3.35

IP(EA), eV:

 -8.58(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations