Geometry & MOs

Info

ID:

106202

PubChem CID:

50152510

Reduced:

N6O6C35H50 (1)

Stoich.:

A6B6C35D50 (1)

Weight, g/mol:

636.363533

ΔHf, kcal/mol:

-266.37

Dipole, Da:

4.7

IP(EA), eV:

 -8.24(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methoxy-4-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations