Geometry & MOs

Info

ID:

111858

PubChem CID:

50384527

Reduced:

SO3N6C27H38 (1)

Stoich.:

AB3C6D27E38 (1)

Weight, g/mol:

626.261961

ΔHf, kcal/mol:

-99.78

Dipole, Da:

1.1

IP(EA), eV:

 -8.81(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations