Geometry & MOs

Info

ID:	243764
PubChem CID:	99234690
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	447.146407
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	2.51
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonamido)ethyl 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCCOC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

DOS

IR

Vibrations