Geometry & MOs

Info

ID:

448723

PubChem CID:

135293031

Reduced:

PN4O4C29H57 (1)

Stoich.:

AB4C4D29E57 (1)

Weight, g/mol:

502.176265

ΔHf, kcal/mol:

-294.77

Dipole, Da:

5.77

IP(EA), eV:

 -8.6(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(OCCC#N)OC(CNC(=O)C(C)(C)CC(C)(C)C)NC(=O)C(C)(C)CC(C)(C)C

DOS

IR

Vibrations