Geometry & MOs

Info

ID:	423729
PubChem CID:	135120099
Reduced:	SO4N9C30H37 (1)
Stoich.:	AB4C9D30E37 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	2.62
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)CN4N=C5C=CC=CC5=N4)N=N3

DOS

IR

Vibrations