Geometry & MOs

Info

ID:	15713
PubChem CID:	447852
Reduced:	SN2O3C8H16 (1)
Stoich.:	AB2C3D8E16 (1)
Weight, g/mol:	220.088164
ΔH_f, kcal/mol:	-158.84
Dipole, Da:	4.41
IP(EA), eV:	-9.31(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[(2S)-2-[dihydroxy(sulfanyl)methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(O)(O)S)N

DOS

IR

Vibrations