Geometry & MOs

Info

ID:

107081

PubChem CID:

50188703

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-199.58

Dipole, Da:

8.15

IP(EA), eV:

 -8.98(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)C

DOS

IR

Vibrations