Geometry & MOs

Info

ID:

107659

PubChem CID:

50213255

Reduced:

O4N5C33H47 (1)

Stoich.:

A4B5C33D47 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-185.47

Dipole, Da:

8.51

IP(EA), eV:

 -9.08(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(CC)CC)C)C

DOS

IR

Vibrations