Geometry & MOs

Info

ID:	352242
PubChem CID:	127283324
Reduced:	SN2O3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	294.151433
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	5.66
IP(EA), eV:	-9.81(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations