Geometry & MOs

Info

ID:	231036
PubChem CID:	87572494
Reduced:	NSi2C16H34 (1)
Stoich.:	AB2C16D34 (1)
Weight, g/mol:	669.111981
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	2.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788952
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(2,2-dimethylpropanoyloxy)ethoxy-[1-(5-chloro-1-benzothiophen-3-yl)-2-(3-chloro-N-ethenylanilino)-2-oxoethyl]phosphinic acid

Drug info:

PubChemData

Smile

CCC(/C(=C(/C)\[Si])/C)N(C(C)C)[Si](CC)(CC)CC

DOS

IR

Vibrations