Geometry & MOs

Info

ID:

106366

PubChem CID:

50160457

Reduced:

N3O3C18H26 (2)

Stoich.:

A3B3C18D26 (2)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-272.36

Dipole, Da:

6.69

IP(EA), eV:

 -8.23(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)OC

DOS

IR

Vibrations