Geometry & MOs

Info

ID:

106281

PubChem CID:

50155711

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

648.399919

ΔHf, kcal/mol:

-195.59

Dipole, Da:

11.44

IP(EA), eV:

 -8.71(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methyl-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations