Geometry & MOs

Info

ID:

160525

PubChem CID:

57309873

Reduced:

NO5C31H31 (1)

Stoich.:

AB5C31D31 (1)

Weight, g/mol:

513.070992

ΔHf, kcal/mol:

-94.4

Dipole, Da:

3.25

IP(EA), eV:

 -8.3(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-hydroxy-1-[4-[2-[[N'-(methylsulfonylmethyl)carbamimidoyl]amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]-2-(2,2,3,3,3-pentafluoropropyl)guanidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations