Geometry & MOs

Info

ID:	420560
PubChem CID:	135113923
Reduced:	FN4O5C33H37 (1)
Stoich.:	AB4C5D33E37 (1)
Weight, g/mol:	333.081698
ΔH_f, kcal/mol:	-184.56
Dipole, Da:	5.9
IP(EA), eV:	-8.63(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)CN3CCCC(=O)NCC4=C(C=CC=C4F)OC5=C(C=C(C=C5)C(=O)NCCC3)OC

DOS

IR

Vibrations