Geometry & MOs

Info

ID:	213839
PubChem CID:	81065184
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-131.1
Dipole, Da:	3.15
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(quinoline-6-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations