Geometry & MOs

Info

ID:	342294
PubChem CID:	127265071
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	342.03421
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	9.57
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-chloro-2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CCC(=O)N(C)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations