Geometry & MOs

Info

ID:	74045
PubChem CID:	48421389
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-22.42
Dipole, Da:	3.27
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-3-phenylmethoxypropyl)-1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=C(N=CC=C2)N3C=CC=N3

DOS

IR

Vibrations