Geometry & MOs

Info

ID:	41213
PubChem CID:	8145471
Reduced:	FSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	392.101706
ΔH_f, kcal/mol:	35.18
Dipole, Da:	7.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.803650
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

C1CCC2=NN(C(=S)N2CC1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations