Geometry & MOs

Info

ID:	202788
PubChem CID:	79726385
Reduced:	NSO5H11C13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	6.47
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-(3-hydroxy-4-methoxybenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CS2)C(=O)O)O

DOS

IR

Vibrations