Geometry & MOs

Info

ID:

118456

PubChem CID:

50643550

Reduced:

ClN6O6C33H45 (1)

Stoich.:

AB6C6D33E45 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-263.77

Dipole, Da:

9.46

IP(EA), eV:

 -8.15(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations