Geometry & MOs

Info

ID:	174914
PubChem CID:	75831518
Reduced:	SN4O4C17H25 (1)
Stoich.:	AB4C4D17E25 (1)
Weight, g/mol:	384.192331
ΔH_f, kcal/mol:	-120.48
Dipole, Da:	1.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755084
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(oxolan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)S(=O)(=O)NCCCN(C)CC2=CC=CC=C2

DOS

IR

Vibrations