Geometry & MOs

Info

ID:	213328
PubChem CID:	81063462
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-149.34
Dipole, Da:	3.09
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)NCC(C)CC(=O)O)CC

DOS

IR

Vibrations