Geometry & MOs

Info

ID:	194344
PubChem CID:	78519218
Reduced:	NS2O5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-69.2
Dipole, Da:	9.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.860385
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(C=C(C=C3)OC)OC)SC2=S)C(=O)[O-]

DOS

IR

Vibrations