Geometry & MOs

Info

ID:	243140
PubChem CID:	99215955
Reduced:	O2S2N4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	445.157246
ΔH_f, kcal/mol:	9.0
Dipole, Da:	3.27
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-(1H-indole-3-carbonyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)[C@@H]3CSCN3C(=O)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations