Geometry & MOs

Info

ID:	402445
PubChem CID:	135055994
Reduced:	PN2O6C20H31 (1)
Stoich.:	AB2C6D20E31 (1)
Weight, g/mol:	463.07945
ΔH_f, kcal/mol:	-315.36
Dipole, Da:	2.37
IP(EA), eV:	-8.44(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl (2R)-2-(4-bromophenyl)-5-fluoro-1,2-dihydroindole-3,3-dicarboxylate

Drug info:

PubChemData

Smile

CN[C@H]1CC23CC[C@@H]([C@H](C2)[C@@H]([C@@H](N3C1)CC4=CC=C(C=C4)OC)O)OP(=O)(O)O

DOS

IR

Vibrations