Geometry & MOs

Info

ID:	286917
PubChem CID:	104223525
Reduced:	SO2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-0.79
Dipole, Da:	6.96
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(4-carbamoylpiperidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C3=NC=C(C=N3)/C=C/C(=O)O

DOS

IR

Vibrations