Geometry & MOs

Info

ID:	55604
PubChem CID:	17395643
Reduced:	S2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	7.79
IP(EA), eV:	-8.27(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C

DOS

IR

Vibrations