Geometry & MOs

Info

ID:	135899
PubChem CID:	51954870
Reduced:	SN7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	429.09132
ΔH_f, kcal/mol:	150.47
Dipole, Da:	0.48
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-N-(4-iodo-2-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=NN1C2=CC=CC=C2)SC3=NN=C(N3C)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations