Geometry & MOs

Info

ID:	83447
PubChem CID:	49857603
Reduced:	S2O4N5C22H31 (1)
Stoich.:	A2B4C5D22E31 (1)
Weight, g/mol:	524.192726
ΔH_f, kcal/mol:	-145.25
Dipole, Da:	7.6
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)N1CCCC1C2=CC(=C(S2)C)C(=O)NC3=NC=NS3)CC(=O)OC(C)(C)C

DOS

IR

Vibrations