Geometry & MOs

Info

ID:	243049
PubChem CID:	99215291
Reduced:	O2N3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	468.036057
ΔH_f, kcal/mol:	-90.22
Dipole, Da:	1.34
IP(EA), eV:	-8.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[5-(2,5-dichlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCC(CC2)C(=O)NC3=CC=CC(=N3)C

DOS

IR

Vibrations