Geometry & MOs

Info

ID:

445514

PubChem CID:

135267509

Reduced:

SO3F7N7H30C35 (1)

Stoich.:

AB3C7D7E30F35 (1)

Weight, g/mol:

293.058753

ΔHf, kcal/mol:

-292.11

Dipole, Da:

6.66

IP(EA), eV:

 -8.01(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1S,4Z,5R)-4-(1-amino-2,2,2-trifluoroethylidene)-2,2-difluoro-3-bicyclo[3.2.0]hept-6-ynylidene]amino]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=C2N1C(=CC=C2)C3=C(N=C(C=C3)C#CC(C)(C)O)C(CC4=CC(=CC(=C4)F)F)NC(=O)N5C6=C(CCC6(F)F)C(=N5)C(F)(F)F)NS(=O)C

DOS

IR

Vibrations