Geometry & MOs

Info

ID:

189154

PubChem CID:

77823748

Reduced:

F2N3O5C33H35 (1)

Stoich.:

A2B3C5D33E35 (1)

Weight, g/mol:

498.28422

ΔHf, kcal/mol:

-214.54

Dipole, Da:

11.92

IP(EA), eV:

 -9.0(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]carbamoyl]phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COCCCN1C2=C(C=CC(=C2)N(C3CC3)C(=O)C4CNCCC4C5=CC=CC(=C5)C6=CC=C(C=C6)O)OC(C1=O)(F)F

DOS

IR

Vibrations