Geometry & MOs

Info

ID:	190120
PubChem CID:	77957148
Reduced:	ON2C33H40 (1)
Stoich.:	AB2C33D40 (1)
Weight, g/mol:	513.076134
ΔH_f, kcal/mol:	109.49
Dipole, Da:	6.13
IP(EA), eV:	-8.32(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]-3-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CCC3(CCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6CC=CC=C6

DOS

IR

Vibrations