Geometry & MOs

Info

ID:

138220

PubChem CID:

52329393

Reduced:

ON2C11H14 (2)

Stoich.:

AB2C11D14 (2)

Weight, g/mol:

478.068881

ΔHf, kcal/mol:

-49.42

Dipole, Da:

3.99

IP(EA), eV:

 -8.36(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,10S,11S)-4-chloro-9-(4-methylphenyl)-14-methylsulfanyl-11-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),3,5,13,15-hexaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations