Geometry & MOs

Info

ID:

54155

PubChem CID:

14724606

Reduced:

SO13N14C59H80 (1)

Stoich.:

AB13C14D59E80 (1)

Weight, g/mol:

354.09258

ΔHf, kcal/mol:

-493.02

Dipole, Da:

6.4

IP(EA), eV:

 -8.88(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,5Z)-6-ethoxy-6-hydroxy-1-phenyl-5-phenylsulfanylhexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(CC5=CC=CS5)NC(=O)CNC(=O)C6CCCN6C(=O)C7CC(CN7C(=O)C(CCCCNC(=O)C8=CN=CC=C8)N)O)C(=O)NC(CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations