Geometry & MOs

Info

ID:	155991
PubChem CID:	56368636
Reduced:	S2N4O4C23H24 (1)
Stoich.:	A2B4C4D23E24 (1)
Weight, g/mol:	402.10552
ΔH_f, kcal/mol:	-80.12
Dipole, Da:	6.4
IP(EA), eV:	-8.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)CSC3=CC=CC=N3

DOS

IR

Vibrations