Geometry & MOs

Info

ID:	344014
PubChem CID:	127267190
Reduced:	ClFSN3O3C11H15 (1)
Stoich.:	ABCD3E3F11G15 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-143.35
Dipole, Da:	6.57
IP(EA), eV:	-9.57(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]phenyl]-3-[2-(pyridin-2-ylamino)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NNS(=O)(=O)C1=C(N=C(C=C1)Cl)F

DOS

IR

Vibrations