Geometry & MOs

Info

ID:

115900

PubChem CID:

50538071

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-230.16

Dipole, Da:

16.65

IP(EA), eV:

 -8.42(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)Cl

DOS

IR

Vibrations