Geometry & MOs

Info

ID:	135879
PubChem CID:	51952334
Reduced:	OS2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	276.207587
ΔH_f, kcal/mol:	33.09
Dipole, Da:	5.94
IP(EA), eV:	-8.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(benzylcarbamoylamino)methyl]cyclopentyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4C=CNC4=S)C

DOS

IR

Vibrations