Geometry & MOs

Info

ID:	37167
PubChem CID:	8017811
Reduced:	SN2O3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	375.098584
ΔH_f, kcal/mol:	-123.25
Dipole, Da:	6.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.018198
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

DOS

IR

Vibrations