Geometry & MOs

Info

ID:	447505
PubChem CID:	135283432
Reduced:	ClSN4O4C29H29 (1)
Stoich.:	ABC4D4E29F29 (1)
Weight, g/mol:	507.96816
ΔH_f, kcal/mol:	-71.3
Dipole, Da:	3.21
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;2-[(4-bromophenyl)-thiophen-3-ylmethyl]-4-(2-chlorophenyl)sulfanyl-5-oxo-1,2-dihydropyrrol-3-olate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(CCO1)C2=CC=CC(=C2)C(C3=CC=CC=C3)N4C(=O)C(C(=O)N4)SC5=CC=CC=C5Cl

DOS

IR

Vibrations