Geometry & MOs

Info

ID:	194525
PubChem CID:	78548440
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	396.133006
ΔH_f, kcal/mol:	-207.28
Dipole, Da:	4.1
IP(EA), eV:	-9.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-cyclopentylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2CSC3(N2C(=O)CC3)C

DOS

IR

Vibrations