Geometry & MOs

Info

ID:	139757
PubChem CID:	52590182
Reduced:	SN2O3H24C27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	465.118084
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	5.01
IP(EA), eV:	-9.15(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1S)-1-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2=CC=CC(=C2)CNC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations