Geometry & MOs

Info

ID:

178151

PubChem CID:

76286012

Reduced:

SF2O4N7C24H25 (1)

Stoich.:

AB2C4D7E24F25 (1)

Weight, g/mol:

518.191166

ΔHf, kcal/mol:

-125.91

Dipole, Da:

2.61

IP(EA), eV:

 -8.98(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5R,10R)-8-amino-2-(cyclopropylmethyl)-7,10-dimethyl-6,6-dioxo-6lambda6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1([C@]2(CCN(C2)CC3=CN=CO3)S(=O)(=O)N(C(=N1)N)C)C4=C(C=CC(=C4)NC(=O)C5=NC=C(C=C5)F)F

DOS

IR

Vibrations