Geometry & MOs

Info

ID:

133074

PubChem CID:

51474082

Reduced:

SN3O4C13H14 (1)

Stoich.:

AB3C4D13E14 (1)

Weight, g/mol:

441.08507

ΔHf, kcal/mol:

-97.88

Dipole, Da:

9.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764955

Charge, e:

 0

Chem-info

IUPAC name:

1-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(2-phenylsulfanylethyl)urea

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=O)C(=C(N12)[O-])C(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations