Geometry & MOs

Info

ID:

145051

PubChem CID:

53452793

Reduced:

NS2O5H14C19 (1)

Stoich.:

AB2C5D14E19 (1)

Weight, g/mol:

397.182398

ΔHf, kcal/mol:

-46.43

Dipole, Da:

6.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.786395

Charge, e:

 0

Chem-info

IUPAC name:

7-methoxy-1'-propyl-2-thiophen-2-ylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)[O-]

DOS

IR

Vibrations