Geometry & MOs

Info

ID:	432758
PubChem CID:	135172895
Reduced:	F2N8O15C53H68 (1)
Stoich.:	A2B8C15D53E68 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-702.09
Dipole, Da:	12.25
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-hydroxy-2-oxo-1H-indol-3-yl)methyl]prop-2-enoic acid

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](CCN([C@@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)C(=O)NCCC(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CCCC(=O)ON4C(=O)CCC4=O

DOS

IR

Vibrations