Geometry & MOs

Info

ID:	57576
PubChem CID:	22425527
Reduced:	ClSN2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	66.19
Dipole, Da:	2.63
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=NN=C(C=C2)Cl

DOS

IR

Vibrations