Geometry & MOs

Info

ID:	213396
PubChem CID:	81063602
Reduced:	SN2O5C10H12 (1)
Stoich.:	AB2C5D10E12 (1)
Weight, g/mol:	334.065714
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	4.89
IP(EA), eV:	-10.16(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CSC(=C1)[N+](=O)[O-]

DOS

IR

Vibrations