Geometry & MOs

Info

ID:	190273
PubChem CID:	77979482
Reduced:	FSN5O9C38H50 (1)
Stoich.:	ABC5D9E38F50 (1)
Weight, g/mol:	384.221306
ΔH_f, kcal/mol:	-363.69
Dipole, Da:	10.4
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-piperidin-1-ylbut-2-enoate

Drug info:

PubChemData

Smile

CC1CCC=CC2CC2(NC(=O)C3CC(CN3C(=O)C(C(C1)C)NC(=O)OC(C)(C)C)OC4=NC=CC5=C4C=C(C=C5OC)F)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations