Geometry & MOs

Info

ID:	31728
PubChem CID:	3288059
Reduced:	N2S2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	472.06676
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	4.49
IP(EA), eV:	-8.39(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)CCS2)C

DOS

IR

Vibrations