Geometry & MOs

Info

ID:

107892

PubChem CID:

50222921

Reduced:

O5N6C36H52 (1)

Stoich.:

A5B6C36D52 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-246.17

Dipole, Da:

3.54

IP(EA), eV:

 -8.91(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-6-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations