Geometry & MOs

Info

ID:

91163

PubChem CID:

49973739

Reduced:

Cl2N5O5C31H37 (1)

Stoich.:

A2B5C5D31E37 (1)

Weight, g/mol:

672.363533

ΔHf, kcal/mol:

-199.66

Dipole, Da:

9.48

IP(EA), eV:

 -9.04(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations