Geometry & MOs

Info

ID:	186409
PubChem CID:	77427554
Reduced:	ClSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	358.201833
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	4.62
IP(EA), eV:	-8.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropylmethyl-(5,11-dihydroxy-2-oxo-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-6-yl)-ethyl-methylazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CC(CC2=O)CNC(=O)C3=CC=C(S3)Cl)N4C=CC=C(C4=O)CCO

DOS

IR

Vibrations