Geometry & MOs

Info

ID:	128040
PubChem CID:	51028360
Reduced:	SN3O5H25C27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	326.145285
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	8.49
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NO[C@@H]3[C@H]2[C@@H]4C[C@H]3[C@@H]5[C@H]4C(=O)N(C5=O)C6=C(C7=C(S6)CCCC7)C#N)OC

DOS

IR

Vibrations