Geometry & MOs

Info

ID:	83443
PubChem CID:	49857599
Reduced:	FSO2N6H19C22 (1)
Stoich.:	ABC2D6E19F22 (1)
Weight, g/mol:	510.177076
ΔH_f, kcal/mol:	32.37
Dipole, Da:	2.89
IP(EA), eV:	-9.18(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[2-[4-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]-5-methylthiophen-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NN=C2C1=C(N=C3N2NC=C3C4=CN=C5C=CC(=CC5=C4)F)C6CCS(=O)(=O)CC6

DOS

IR

Vibrations