Geometry & MOs

Info

ID:

146102

PubChem CID:

53635547

Reduced:

N3O3C31H47 (1)

Stoich.:

A3B3C31D47 (1)

Weight, g/mol:

512.099318

ΔHf, kcal/mol:

-150.03

Dipole, Da:

2.83

IP(EA), eV:

 -8.28(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-prop-2-ynyl-3-[3-(trifluoromethyl)phenyl]-7-[[3-(trifluoromethyl)phenyl]methylidene]-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole 5,5-dioxide

Drug info:

PubChemData

Smile

CC(C)(C)N(CCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)N)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations