Geometry & MOs

Info

ID:	321850
PubChem CID:	126667077
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	475.080653
ΔH_f, kcal/mol:	17.14
Dipole, Da:	3.45
IP(EA), eV:	-8.55(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanol

Drug info:

PubChemData

Smile

C/C=C\C1=C([C@]2(CO1)/C(=C/C=C)/C(=C\C=C)/NC2=O)C=C

DOS

IR

Vibrations