Geometry & MOs

Info

ID:

112076

PubChem CID:

50393768

Reduced:

N5O5C34H45 (1)

Stoich.:

A5B5C34D45 (1)

Weight, g/mol:

621.298491

ΔHf, kcal/mol:

-200.91

Dipole, Da:

3.76

IP(EA), eV:

 -8.78(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations