Geometry & MOs

Info

ID:	264050
PubChem CID:	103421551
Reduced:	SN3O3C11H13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	313.091869
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	2.1
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(3-hydroxypyrrolidin-1-yl)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(S1)N2CCC(C2)O)C#N)N

DOS

IR

Vibrations