Geometry & MOs

Info

ID:	422075
PubChem CID:	135117135
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	4.24
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCC(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations