Geometry & MOs

Info

ID:	227958
PubChem CID:	87563128
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	383.097349
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	6.75
IP(EA), eV:	-8.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-3-oxopropan-2-yl]sulfanylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations