Geometry & MOs

Info

ID:	214262
PubChem CID:	84974818
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	4.02
IP(EA), eV:	-8.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azepan-1-yl)-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations