Geometry & MOs

Info

ID:	176204
PubChem CID:	76008645
Reduced:	SCl2N5O7C32H41 (1)
Stoich.:	AB2C5D7E32F41 (1)
Weight, g/mol:	2640.602314
ΔH_f, kcal/mol:	-180.89
Dipole, Da:	65.96
IP(EA), eV:	-7.44(-3.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1CN3C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CCC[N+]67CC[N+](CC6)(CC7)CC(=O)N)C(=O)O)C(C)O.[Cl-].[Cl-]

DOS

IR

Vibrations