Geometry & MOs

Info

ID:

82172

PubChem CID:

49855720

Reduced:

SO3N5H29C32 (1)

Stoich.:

AB3C5D29E32 (1)

Weight, g/mol:

441.173166

ΔHf, kcal/mol:

22.33

Dipole, Da:

4.2

IP(EA), eV:

 -8.79(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C1)C2=C(C=CN=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCC5=C(C6=CC=CC=C64)SC(=C5)C(=O)NC7CC7

DOS

IR

Vibrations