Geometry & MOs

Info

ID:

107866

PubChem CID:

50221850

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

575.229932

ΔHf, kcal/mol:

-230.91

Dipole, Da:

3.73

IP(EA), eV:

 -8.72(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations