Geometry & MOs

Info

ID:	45076
PubChem CID:	10507790
Reduced:	O13C30H32 (1)
Stoich.:	A13B30C32 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	-519.69
Dipole, Da:	2.06
IP(EA), eV:	-9.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-(1-thiophen-2-ylethylideneamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC(=O)C2=CC=CC=C2)C(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations