Geometry & MOs

Info

ID:	165026
PubChem CID:	74486848
Reduced:	SN2O2H20C21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	394.249452
ΔH_f, kcal/mol:	1.38
Dipole, Da:	2.95
IP(EA), eV:	-8.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]-[1-(4-ethylphenyl)-2-methylpropyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=C2OCC3=CSC(=N3)C

DOS

IR

Vibrations