Geometry & MOs

Info

ID:	133977
PubChem CID:	51621133
Reduced:	OSN4C22H32 (1)
Stoich.:	ABC4D22E32 (1)
Weight, g/mol:	260.061949
ΔH_f, kcal/mol:	78.06
Dipole, Da:	24.03
IP(EA), eV:	-5.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)sulfanyl-5-nitropyridine

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CN3CC[NH+](CC3)CC4=CSC=C4

DOS

IR

Vibrations