Geometry & MOs

Info

ID:	185336
PubChem CID:	77287671
Reduced:	S2N3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	658.109151
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	4.04
IP(EA), eV:	-8.83(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(5-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O)N

DOS

IR

Vibrations