Geometry & MOs

Info

ID:	184342
PubChem CID:	77148317
Reduced:	S2F3N3O3C18H22 (1)
Stoich.:	A2B3C3D3E18F22 (1)
Weight, g/mol:	451.095966
ΔH_f, kcal/mol:	-241.12
Dipole, Da:	9.93
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(5-aminothiophen-2-yl)sulfonyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=C(C=C2)C(C)(C(F)(F)F)O)S(=O)(=O)C3=CC=C(S3)N

DOS

IR

Vibrations