Geometry & MOs

Info

ID:	68044
PubChem CID:	46507653
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	361.069654
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	4.93
IP(EA), eV:	-8.66(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[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)C

DOS

IR

Vibrations