Geometry & MOs

Info

ID:	336237
PubChem CID:	127255244
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	395.093977
ΔH_f, kcal/mol:	25.57
Dipole, Da:	5.39
IP(EA), eV:	-9.67(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-yl]-5-methoxy-4-oxopyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2C3CC4CC(C3)CC2C4)N5C=NN=N5)C

DOS

IR

Vibrations