Geometry & MOs

Info

ID:	65046
PubChem CID:	29204384
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	496.133794
ΔH_f, kcal/mol:	-168.95
Dipole, Da:	3.15
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[(2S)-2-(benzenesulfonamido)-4-methylsulfonylbutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC

DOS

IR

Vibrations