Geometry & MOs

Info

ID:	139961
PubChem CID:	52622045
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	6.12
IP(EA), eV:	-8.74(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]propyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=C(N=CC=C2)OC)C)C

DOS

IR

Vibrations