Geometry & MOs

Info

ID:	166608
PubChem CID:	74716229
Reduced:	SN4O5C23H29 (1)
Stoich.:	AB4C5D23E29 (1)
Weight, g/mol:	486.173253
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	5.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753138
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopentyl-5-[4-(1,1-dioxothiolan-3-yl)piperazin-4-ium-1-carbonyl]-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations