Geometry & MOs

Info

ID:	262068
PubChem CID:	103268021
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	201.08235
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	2.43
IP(EA), eV:	-8.55(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(thian-3-ylamino)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(CSC1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations