Geometry & MOs

Info

ID:

320386

PubChem CID:

126660107

Reduced:

OSN5C24H37 (1)

Stoich.:

ABC5D24E37 (1)

Weight, g/mol:

471.290407

ΔHf, kcal/mol:

0.45

Dipole, Da:

4.08

IP(EA), eV:

 -8.69(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'aS)-4'-(2-chloroethyl)-6',11,12b-trimethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one

Drug info:

PubChemData

Smile

CCCN=C(CC)C1=CC=C(C=C1)OCCCCCN(CCNC2=CC(=NC=C2)N)S

DOS

IR

Vibrations