Geometry & MOs

Info

ID:	81299
PubChem CID:	49854574
Reduced:	SF3O3N6C21H25 (1)
Stoich.:	AB3C3D6E21F25 (1)
Weight, g/mol:	464.191149
ΔH_f, kcal/mol:	-234.26
Dipole, Da:	3.67
IP(EA), eV:	-9.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[3-[2-(3,4-difluorophenyl)propan-2-ylamino]propanoyl]-2,3-dihydroindol-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4CC[C@H]([C@H]4C(=O)N)COC)C(F)(F)F

DOS

IR

Vibrations