Geometry & MOs

Info

ID:	191308
PubChem CID:	78129182
Reduced:	ClF2N4O4C13H15 (1)
Stoich.:	AB2C4D4E13F15 (1)
Weight, g/mol:	347.006819
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	3.38
IP(EA), eV:	-10.17(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6-methylsulfonyl-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]thiourea

Drug info:

PubChemData

Smile

CCC(C(=O)OC)N(C1CC(C1)(F)F)C2=NC(=NC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations