Geometry & MOs

Info

ID:	67491
PubChem CID:	46506571
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	3.02
Dipole, Da:	4.92
IP(EA), eV:	-8.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-8-methyl-2-(4-propan-2-ylphenyl)iminopyrano[2,3-c]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=S)N

DOS

IR

Vibrations