Geometry & MOs

Info

ID:	83444
PubChem CID:	49857600
Reduced:	FS2N4O4C23H31 (1)
Stoich.:	AB2C4D4E23F31 (1)
Weight, g/mol:	510.177076
ΔH_f, kcal/mol:	-212.83
Dipole, Da:	6.34
IP(EA), eV:	-9.1(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)N1CCCC1C2=CC(=C(S2)C)C(=O)NC3=NC=C(S3)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations