Geometry & MOs

Info

ID:	416755
PubChem CID:	135090288
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	338.145285
ΔH_f, kcal/mol:	-105.44
Dipole, Da:	4.76
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-phenyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cycloprop-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N[C@H]4CCC[C@H]4CO

DOS

IR

Vibrations