Geometry & MOs

Info

ID:

114927

PubChem CID:

50501993

Reduced:

ClN5O5C26H32 (1)

Stoich.:

AB5C5D26E32 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-190.3

Dipole, Da:

5.69

IP(EA), eV:

 -8.36(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations