Geometry & MOs

Info

ID:

107241

PubChem CID:

50195949

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-227.67

Dipole, Da:

7.82

IP(EA), eV:

 -8.9(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCC(CC5)C)C)C

DOS

IR

Vibrations