Geometry & MOs

Info

ID:	68051
PubChem CID:	46507666
Reduced:	BrNSO3H8C11 (1)
Stoich.:	ABCD3E8F11 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	4.68
IP(EA), eV:	-8.94(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-8-methyl-2-(phenylhydrazinylidene)chromene-3-carbothioamide

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=S)N

DOS

IR

Vibrations