Geometry & MOs

Info

ID:	302749
PubChem CID:	124394446
Reduced:	SN4O6H12C18 (1)
Stoich.:	AB4C6D12E18 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	1.27
Dipole, Da:	7.1
IP(EA), eV:	-9.19(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N3C(=O)/C(=C/C4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O)/SC3=N2)C

DOS

IR

Vibrations