Geometry & MOs

Info

ID:	138602
PubChem CID:	52392498
Reduced:	SN3O5C16H22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	8.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.851504
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CC[NH+](C)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations