Geometry & MOs

Info

ID:	232221
PubChem CID:	87575740
Reduced:	ClSiC20H42 (1)
Stoich.:	ABC20D42 (1)
Weight, g/mol:	607.117783
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	1.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752694
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3-fluoroanilino]ethanesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC([Si](C)C)Cl

DOS

IR

Vibrations