Geometry & MOs

Info

ID:	321847
PubChem CID:	126667073
Reduced:	ClOS2N5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	398.098352
ΔH_f, kcal/mol:	62.74
Dipole, Da:	4.45
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-(4-pyridin-3-ylpyrazol-1-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC(CN3C=C(C=N3)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations