Geometry & MOs

Info

ID:

91252

PubChem CID:

49974527

Reduced:

N5O5C35H47 (1)

Stoich.:

A5B5C35D47 (1)

Weight, g/mol:

611.310769

ΔHf, kcal/mol:

-212.38

Dipole, Da:

9.52

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations