Geometry & MOs

Info

ID:	233595
PubChem CID:	91145561
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	521.207934
ΔH_f, kcal/mol:	-149.38
Dipole, Da:	6.11
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-[11-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-1,9,9-trimethyl-2,3,8-triaza-4-azoniatricyclo[6.4.0.02,6]dodeca-3,5-dien-4-yl]butanoate

Drug info:

PubChemData

Smile

CNC(=O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2

DOS

IR

Vibrations