Geometry & MOs

Info

ID:	30101
PubChem CID:	839935
Reduced:	OSCl3N3C11H14 (1)
Stoich.:	ABC3D3E11F14 (1)
Weight, g/mol:	262.052447
ΔH_f, kcal/mol:	-38.9
Dipole, Da:	2.66
IP(EA), eV:	-9.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamothioylhydrazinylidene)chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N[C@@H](C(Cl)(Cl)Cl)SC1=NC=NC=C1

DOS

IR

Vibrations