Geometry & MOs

Info

ID:	56332
PubChem CID:	17425116
Reduced:	O2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	330.086056
ΔH_f, kcal/mol:	37.03
Dipole, Da:	3.57
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithian-2-yl)-N-(6-methylpyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

DOS

IR

Vibrations