Geometry & MOs

Info

ID:	188608
PubChem CID:	77741045
Reduced:	FO4N5H24C30 (1)
Stoich.:	AB4C5D24E30 (1)
Weight, g/mol:	330.088557
ΔH_f, kcal/mol:	-9.17
Dipole, Da:	3.05
IP(EA), eV:	-9.28(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(OC(=O)N1C2=CC=CC=C2C3=C4C(=CC=C3)N=NN4F)CNC(=O)CCC(=O)C5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations