Geometry & MOs

Info

ID:	195637
PubChem CID:	78712861
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	374.103335
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	5.08
IP(EA), eV:	-8.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)SC)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations