Geometry & MOs

Info

ID:	353937
PubChem CID:	127285577
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	4.26
IP(EA), eV:	-8.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=N2)NC(=O)N3CC[C@@H](C3)O

DOS

IR

Vibrations