Geometry & MOs

Info

ID:	147101
PubChem CID:	53786754
Reduced:	O2H7C11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	472.263388
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	6.87
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

S-[4-methyl-2-[(9-oxo-8-aza-1-azoniatricyclo[10.6.1.013,18]nonadeca-1(19),13,15,17-tetraen-10-yl)carbamoyl]pentyl] ethanethioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=C2C=O)C3=CC(=C(C4=CC=CC=C43)O)C(=O)O

DOS

IR

Vibrations