Geometry & MOs

Info

ID:	155014
PubChem CID:	56314580
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	463.14705
ΔH_f, kcal/mol:	60.23
Dipole, Da:	7.87
IP(EA), eV:	-9.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one

Drug info:

PubChemData

Smile

COCCN(CC1=CC=CC=N1)C(=O)C2=CSC(=N2)C3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations