Geometry & MOs

Info

ID:	128645
PubChem CID:	51053004
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-156.12
Dipole, Da:	8.49
IP(EA), eV:	-9.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCCCC(=O)O

DOS

IR

Vibrations