Geometry & MOs

Info

ID:	230888
PubChem CID:	87572202
Reduced:	NSi2C15H34 (1)
Stoich.:	AB2C15D34 (1)
Weight, g/mol:	533.125455
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	2.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754218
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)[Si](CCNC(C)C)C=C(C)C

DOS

IR

Vibrations