Geometry & MOs

Info

ID:

91852

PubChem CID:

49979621

Reduced:

N5O5C33H43 (1)

Stoich.:

A5B5C33D43 (1)

Weight, g/mol:

726.354111

ΔHf, kcal/mol:

-193.6

Dipole, Da:

7.64

IP(EA), eV:

 -8.6(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations