Geometry & MOs

Info

ID:

116838

PubChem CID:

50577496

Reduced:

ClN5O6C31H38 (1)

Stoich.:

AB5C6D31E38 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-236.37

Dipole, Da:

6.16

IP(EA), eV:

 -8.55(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC5=C(C=C4)OCCO5)Cl

DOS

IR

Vibrations