Geometry & MOs

Info

ID:

229122

PubChem CID:

87567003

Reduced:

F2S2O7N8C50H58 (1)

Stoich.:

A2B2C7D8E50F58 (1)

Weight, g/mol:

498.129058

ΔHf, kcal/mol:

-285.53

Dipole, Da:

2.56

IP(EA), eV:

 -8.61(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(1H-pyrrolo[1,2-a]pyrazin-2-yl)acetohydrazide

Drug info:

PubChemData

Smile

CC(C)C(C(C1=NC(=CC=C1)NC2=C(C=C(S2)C3=C(C=C(C=C3)C(C)(C)O)F)C(=O)N)N4CCOCC4)O.C1COCCN1CC(C2=NC(=CC=C2)NC3=C(C=C(S3)C4=CC=CC=C4F)C(=O)N)O

DOS

IR

Vibrations