Geometry & MOs

Info

ID:

112077

PubChem CID:

50393769

Reduced:

SN5O5C33H43 (1)

Stoich.:

AB5C5D33E43 (1)

Weight, g/mol:

609.271797

ΔHf, kcal/mol:

-190.7

Dipole, Da:

6.59

IP(EA), eV:

 -8.26(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)SC)C(=O)N5CCOCC5

DOS

IR

Vibrations