Geometry & MOs

Info

ID:

95235

PubChem CID:

50007410

Reduced:

ClO5N6C37H53 (1)

Stoich.:

AB5C6D37E53 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-238.37

Dipole, Da:

4.8

IP(EA), eV:

 -9.1(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations