Geometry & MOs

Info

ID:	276041
PubChem CID:	103820123
Reduced:	NSO4C26H27 (1)
Stoich.:	ABC4D26E27 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-125.57
Dipole, Da:	4.54
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-tert-butylthiophen-2-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations