Geometry & MOs

Info

ID:	280099
PubChem CID:	103846845
Reduced:	BrClON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	305.023705
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	4.63
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-methylsulfinylpropyl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1C)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations