Geometry & MOs

Info

ID:

74022

PubChem CID:

48421364

Reduced:

O2N5C14H19 (1)

Stoich.:

A2B5C14D19 (1)

Weight, g/mol:

307.110296

ΔHf, kcal/mol:

-21.75

Dipole, Da:

2.97

IP(EA), eV:

-8.85(-0.85)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-ethyl-1-(2-hydroxypropyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=C(N=CC=C1)N2C=CC=N2

DOS

IR

Vibrations