Geometry & MOs

Info

ID:	179658
PubChem CID:	76518281
Reduced:	BrSN2O5C24H31 (1)
Stoich.:	ABC2D5E24F31 (1)
Weight, g/mol:	459.195368
ΔH_f, kcal/mol:	-186.13
Dipole, Da:	13.51
IP(EA), eV:	-8.18(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-methyl-1-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-ium-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)OC2CC[N+](C2)(C)CC(=O)C3=CC=CS3.[Br-]

DOS

IR

Vibrations