Geometry & MOs

Info

ID:	134322
PubChem CID:	51680762
Reduced:	BrN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	444.10486
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	6.27
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S)-5-bromo-3-[(2S)-2-[(2-phenylacetyl)amino]propyl]-2,3-dihydroindol-1-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C[C@H]1CN(C2=C1C=C(C=C2)Br)CC(=O)OC)NC(=O)C3=CC=NC=C3

DOS

IR

Vibrations