Geometry & MOs

Info

ID:	155012
PubChem CID:	56314578
Reduced:	ClSO4N5C18H18 (1)
Stoich.:	ABC4D5E18F18 (1)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	-92.14
Dipole, Da:	2.95
IP(EA), eV:	-9.12(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)/C=C/C3=C(N=C4N3C=CS4)Cl

DOS

IR

Vibrations