Geometry & MOs

Info

ID:	184636
PubChem CID:	77186819
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	744.294134
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	6.79
IP(EA), eV:	-8.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-sulfamoylpyrrol-2-yl) N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-(1-phenylethyl)piperazin-1-yl]isoindol-2-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C)C(=O)C2CC3C(CC2=O)NNC3CC4=CC=CC(=C4)C

DOS

IR

Vibrations