Geometry & MOs

Info

ID:	134592
PubChem CID:	51718797
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-147.07
Dipole, Da:	6.63
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-carboxy-(4-carboxypiperidin-1-yl)methyl]-1-methylindole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N3C[C@@H](CC3=O)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations