Geometry & MOs

Info

ID:	157691
PubChem CID:	56436513
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	6.47
IP(EA), eV:	-8.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[(2-propan-2-yl-1,3-benzothiazol-6-yl)carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CC=CC(=C1)CNC(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3

DOS

IR

Vibrations