Geometry & MOs

Info

ID:	304535
PubChem CID:	124756206
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	3.67
IP(EA), eV:	-8.66(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea

Drug info:

PubChemData

Smile

C[C@H]1C=C([C@@H]2[C@H]([C@@]1(CO[C@@H]2C3=CC4=C(C=C3)OCO4)CO)C)C

DOS

IR

Vibrations