Geometry & MOs

Info

ID:	347278
PubChem CID:	127272072
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	333.096955
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	3.08
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)CCNC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations