Geometry & MOs

Info

ID:

91385

PubChem CID:

49975601

Reduced:

BrN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-175.94

Dipole, Da:

8.21

IP(EA), eV:

 -9.27(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-[3-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations