Geometry & MOs

Info

ID:	258320
PubChem CID:	103152874
Reduced:	ClNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-163.13
Dipole, Da:	4.82
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCSC1=CC=CC=C1Cl

DOS

IR

Vibrations