Geometry & MOs

Info

ID:	33976
PubChem CID:	7889097
Reduced:	SN2O2H16C21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	369.071802
ΔH_f, kcal/mol:	10.4
Dipole, Da:	3.08
IP(EA), eV:	-8.86(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations