Geometry & MOs

Info

ID:	81209
PubChem CID:	49854466
Reduced:	O2S2N5C19H25 (1)
Stoich.:	A2B2C5D19E25 (1)
Weight, g/mol:	442.202321
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	3.47
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-1-[3-(2-phenylpropan-2-ylamino)propanoyl]-2,3-dihydroindol-3-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)NC2=NC3=C(S2)C4=C(CC3)SC(=N4)C(C)(C)C

DOS

IR

Vibrations