Geometry & MOs

Info

ID:

91203

PubChem CID:

49974052

Reduced:

N5O6C29H37 (1)

Stoich.:

A5B6C29D37 (1)

Weight, g/mol:

605.321334

ΔHf, kcal/mol:

-220.35

Dipole, Da:

9.45

IP(EA), eV:

 -9.0(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations