Geometry & MOs

Info

ID:	80698
PubChem CID:	49835913
Reduced:	NF2S2O3H9C13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	514.225643
ΔH_f, kcal/mol:	-157.51
Dipole, Da:	5.91
IP(EA), eV:	-9.41(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2,3-dimethyl-5-[[(2S)-2-phenylcyclopropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O

DOS

IR

Vibrations