Geometry & MOs

Info

ID:	74144
PubChem CID:	48421513
Reduced:	O4N5C18H27 (1)
Stoich.:	A4B5C18D27 (1)
Weight, g/mol:	395.162725
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	2.42
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)OCCOCC(CN(C)C(=O)NC1=C(N=CC=C1)N2C=CC=N2)O

DOS

IR

Vibrations