Geometry & MOs

Info

ID:	137567
PubChem CID:	52228781
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	4.42
IP(EA), eV:	-8.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)CC(=O)N(C)C

DOS

IR

Vibrations