Geometry & MOs

Info

ID:	353936
PubChem CID:	127285576
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-65.43
Dipole, Da:	5.38
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CC[C@@H](C2)O)C

DOS

IR

Vibrations