Geometry & MOs

Info

ID:	142301
PubChem CID:	53013023
Reduced:	SO2N4H22C26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	25.0
Dipole, Da:	5.97
IP(EA), eV:	-8.37(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC=C(C=C3)NC(=O)C4=NSC5=CC=CC=C54

DOS

IR

Vibrations