Geometry & MOs

Info

ID:

106317

PubChem CID:

50157153

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

716.389748

ΔHf, kcal/mol:

-223.3

Dipole, Da:

11.6

IP(EA), eV:

 -8.58(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(CC)CC)C)C

DOS

IR

Vibrations