Geometry & MOs

Info

ID:	407213
PubChem CID:	135079571
Reduced:	BrSN2O2C26H31 (1)
Stoich.:	ABC2D2E26F31 (1)
Weight, g/mol:	294.082684
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	3.15
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)-2-oxoethyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC3CCC(C2C(=S)NC(C4OCCO4)C5=CC(=CC=C5)Br)N3C

DOS

IR

Vibrations