Geometry & MOs

Info

ID:

84054

PubChem CID:

49863908

Reduced:

ClNO5H20C22 (1)

Stoich.:

ABC5D20E22 (1)

Weight, g/mol:

417.124405

ΔHf, kcal/mol:

-136.56

Dipole, Da:

10.01

IP(EA), eV:

 -8.88(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-10-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)/C=C(/C1=CN(C2=C1C(=CC=C2)OC)CC3=CC=C(C=C3)Cl)\O

DOS

IR

Vibrations