Geometry & MOs

Info

ID:	80767
PubChem CID:	49836665
Reduced:	BrSSiN3O5C36H36 (1)
Stoich.:	ABCD3E5F36G36 (1)
Weight, g/mol:	337.94524
ΔH_f, kcal/mol:	-149.62
Dipole, Da:	5.0
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromobutyl)pyridin-1-ium-4-carboxamide;bromide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C(=O)N4[C@@H](C[C@]5([C@@H]4N(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7)Br)C(=O)N3

DOS

IR

Vibrations