Geometry & MOs

Info

ID:	73495
PubChem CID:	48417920
Reduced:	ClOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	30.13
Dipole, Da:	2.95
IP(EA), eV:	-8.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC(=NC=C2)Cl)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations