Geometry & MOs

Info

ID:	33818
PubChem CID:	7888256
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	18.2
Dipole, Da:	3.58
IP(EA), eV:	-8.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C

DOS

IR

Vibrations