Geometry & MOs

Info

ID:

91273

PubChem CID:

49974746

Reduced:

N5O5C35H41 (1)

Stoich.:

A5B5C35D41 (1)

Weight, g/mol:

615.285698

ΔHf, kcal/mol:

-162.9

Dipole, Da:

4.66

IP(EA), eV:

 -8.8(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorophenyl)carbamoyl]-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=CC(=C4C)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations