Geometry & MOs

Info

ID:

91290

PubChem CID:

49974876

Reduced:

FN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

549.295119

ΔHf, kcal/mol:

-199.57

Dipole, Da:

4.31

IP(EA), eV:

 -9.29(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations