Geometry & MOs

Info

ID:	150426
PubChem CID:	53790116
Reduced:	N2S2O6C17H18 (1)
Stoich.:	A2B2C6D17E18 (1)
Weight, g/mol:	176.058578
ΔH_f, kcal/mol:	-172.79
Dipole, Da:	6.94
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formyl-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

COCC1=C(N2[C@H]([C@@H](C2=O)NC(=O)CS(=O)C3=CC=CC=C3)SC1)C(=O)O

DOS

IR

Vibrations