Geometry & MOs

Info

ID:	291954
PubChem CID:	113913500
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	4.36
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)phenyl]-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)O)N)C

DOS

IR

Vibrations