Geometry & MOs

Info

ID:	444507
PubChem CID:	135262702
Reduced:	ClSN4O5C16H19 (1)
Stoich.:	ABC4D5E16F19 (1)
Weight, g/mol:	449.19978
ΔH_f, kcal/mol:	-120.56
Dipole, Da:	8.29
IP(EA), eV:	-9.66(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-])N.Cl

DOS

IR

Vibrations