Geometry & MOs

Info

ID:	65039
PubChem CID:	29204373
Reduced:	N2S2O6C23H30 (1)
Stoich.:	A2B2C6D23E30 (1)
Weight, g/mol:	494.154529
ΔH_f, kcal/mol:	-222.81
Dipole, Da:	8.12
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[(2S)-2-[(2-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NS(=O)(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations