Geometry & MOs

Info

ID:

120418

PubChem CID:

50726310

Reduced:

Cl2O5N6C35H46 (1)

Stoich.:

A2B5C6D35E46 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-240.25

Dipole, Da:

11.14

IP(EA), eV:

 -9.18(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)C(=O)NC2CCCCC2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations