Geometry & MOs

Info

ID:	175973
PubChem CID:	75976958
Reduced:	SN4O4H20C23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	7.58
IP(EA), eV:	-8.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(3-amino-3-oxopropyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)OC(=O)C3=C(N=CC=C3)OC4=CN=CC=C4

DOS

IR

Vibrations