Geometry & MOs

Info

ID:	243726
PubChem CID:	99234374
Reduced:	ClN2O2S2H13C16 (1)
Stoich.:	AB2C2D2E13F16 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-36.64
Dipole, Da:	1.32
IP(EA), eV:	-8.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(methanesulfonamido)-5-methylbenzamide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)C3=C(S2)C=CC(=C3)Cl)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations