Geometry & MOs

Info

ID:	33820
PubChem CID:	7888260
Reduced:	O2S2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	3.2
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NC(=O)CSC1=NC(=NC2=C1C3=C(S2)CCC3)C

DOS

IR

Vibrations