Geometry & MOs

Info

ID:	74046
PubChem CID:	48421390
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	3.21
IP(EA), eV:	-9.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-3-phenylmethoxypropyl)-1-methyl-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=NN=C(S2)C3=CC=CC=N3

DOS

IR

Vibrations