Geometry & MOs

Info

ID:	35261
PubChem CID:	7979597
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	413.162057
ΔH_f, kcal/mol:	-155.69
Dipole, Da:	7.89
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations