Geometry & MOs

Info

ID:	245283
PubChem CID:	99443250
Reduced:	BrOSF3N3C17H17 (1)
Stoich.:	ABCD3E3F17G17 (1)
Weight, g/mol:	476.199445
ΔH_f, kcal/mol:	-134.37
Dipole, Da:	3.94
IP(EA), eV:	-9.23(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N2CCN(CC2)CC3=CC=C(S3)Br

DOS

IR

Vibrations