Geometry & MOs

Info

ID:	43700
PubChem CID:	10321664
Reduced:	SN5O7C18H23 (1)
Stoich.:	AB5C7D18E23 (1)
Weight, g/mol:	453.115855
ΔH_f, kcal/mol:	-254.89
Dipole, Da:	2.51
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(4-fluorophenyl)sulfonylamino]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)OCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations