Geometry & MOs

Info

ID:	146657
PubChem CID:	53726840
Reduced:	OSCl2N5C16H17 (1)
Stoich.:	ABC2D5E16F17 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	24.35
Dipole, Da:	4.53
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C2=CC(=CC(=C12)NNC(N)N)C3=C(SC=C3)Cl)C)Cl

DOS

IR

Vibrations