Geometry & MOs

Info

ID:	328446
PubChem CID:	126723089
Reduced:	OC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	436.168145
ΔH_f, kcal/mol:	-190.47
Dipole, Da:	1.8
IP(EA), eV:	-9.82(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[7-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-5-[2-[(1R)-1-hydroxyethyl]pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1[C@H](C2C(O1)[C@H](CO2)OC3COC3)OCC4CO4

DOS

IR

Vibrations