Geometry & MOs

Info

ID:

107975

PubChem CID:

50225948

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-181.91

Dipole, Da:

5.66

IP(EA), eV:

 -8.76(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations