Geometry & MOs

Info

ID:

91256

PubChem CID:

49974594

Reduced:

FN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

611.310769

ΔHf, kcal/mol:

-192.99

Dipole, Da:

10.38

IP(EA), eV:

 -8.91(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(3-methylbenzoyl)amino]phenyl]-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(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations