Geometry & MOs

Info

ID:	264049
PubChem CID:	103421480
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	267.067762
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	4.72
IP(EA), eV:	-8.05(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-cyano-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C(=C(S1)N(C)CC2CCC2)OC)N

DOS

IR

Vibrations