Geometry & MOs

Info

ID:	262022
PubChem CID:	103266652
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	5.22
IP(EA), eV:	-9.55(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-hydroxy-2-methylbutan-2-yl)amino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C(C)(C)NCC1=CC=C(S1)C(=O)O)O

DOS

IR

Vibrations