Geometry & MOs

Info

ID:	230797
PubChem CID:	87572018
Reduced:	NSi2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	570.073085
ΔH_f, kcal/mol:	13.92
Dipole, Da:	1.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806310
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-5-yl]benzoic acid

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)C1(CCCC1)NC(C)/C(=C(/C)\[Si])/C

DOS

IR

Vibrations