Geometry & MOs

Info

ID:

309566

PubChem CID:

126548832

Reduced:

NH41C56 (1)

Stoich.:

AB41C56 (1)

Weight, g/mol:

588.242471

ΔHf, kcal/mol:

215.37

Dipole, Da:

1.04

IP(EA), eV:

 -8.06(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19R,22R,23S,27S,28S)-10-chloro-23-hydroxy-27,28-dimethyl-29,29-dioxo-5-oxa-29lambda6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10-hexaen-31-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=C7C9=CC=CC=C9C8(C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations