Geometry & MOs

Info

ID:	278212
PubChem CID:	103834134
Reduced:	SN2O3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-78.17
Dipole, Da:	3.85
IP(EA), eV:	-9.91(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CC[C@@H](C2)O

DOS

IR

Vibrations