Geometry & MOs

Info

ID:	214402
PubChem CID:	84981941
Reduced:	SO3N6C16H22 (1)
Stoich.:	AB3C6D16E22 (1)
Weight, g/mol:	380.026742
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	8.17
IP(EA), eV:	-9.2(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)NC(=O)CSC1=NN=NN1C2=C(C=CC(=C2)C)OC

DOS

IR

Vibrations