Geometry & MOs

Info

ID:	28966
PubChem CID:	830908
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	280.067034
ΔH_f, kcal/mol:	-150.99
Dipole, Da:	2.16
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyliminochromene-3-carbothioamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCN3CCOCC3

DOS

IR

Vibrations