Geometry & MOs

Info

ID:	44133
PubChem CID:	10501008
Reduced:	NSSiO3C20H35 (1)
Stoich.:	ABCD3E20F35 (1)
Weight, g/mol:	396.02402
ΔH_f, kcal/mol:	-152.28
Dipole, Da:	3.52
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[4-(5-bromopyridin-3-yl)-4-chlorobutyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@H](/C=C\S(=NC)(=O)C1=CC=CC=C1)[C@H](CCO[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations