Geometry & MOs

Info

ID:	157973
PubChem CID:	56459362
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	467.08783
ΔH_f, kcal/mol:	27.95
Dipole, Da:	3.94
IP(EA), eV:	-8.05(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[(5-bromothiophen-2-yl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CS1)C(=O)C2=CC3=CC=CC=C3N=C2N4CCCC4

DOS

IR

Vibrations