Geometry & MOs

Info

ID:

112092

PubChem CID:

50394323

Reduced:

N5O7C34H45 (1)

Stoich.:

A5B7C34D45 (1)

Weight, g/mol:

619.336984

ΔHf, kcal/mol:

-263.85

Dipole, Da:

8.86

IP(EA), eV:

 -8.32(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-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=C(C=CC(=C4)OC)OC)C(=O)N5CCOCC5

DOS

IR

Vibrations